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Chemical ID: 7520503

Cc1cc(no1)NC(=O)CN2C(=O)c3ccc(cc3C2=O)[N+](=O)[O-]

Chemical ID:

7520503

Name [?]:

N-(5-methylisoxazol-3-yl)-2-(5-nitro-1,3-dioxo-isoindolin-2-yl)-acetamide

SMILES [?]:

Cc1cc(no1)NC(=O)CN2C(=O)c3ccc(cc3C2=O)[N+](=O)[O-]

InChi [?]:

InChI=1/C14H10N4O6/c1-7-4-11(16-24-7)15-12(19)6-17-13(20)9-3-2-8(18(22)23)5-10(9)14(17)21/h2-5H,6H2,1H3,(H,15,16,19)

InChi Info:

AuxInfo=1/1/N:1,16,15,3,18,10,2,17,14,19,4,8,12,20,7,5,11,22,9,13,21,23,24,6/E:(22,23)/CRV:18.5/rA:24nCCCCNONCOCNCOCCCCCCCON+OO-/rB:s1;d2;s3;d4;s2s5;s4;s7;d8;s8;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s11s19;d20;s17;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₀N₄O₆
All Atoms:	34
Heavy Atoms:	24
Chiral Atoms:	None

ZAP Information [?]

Total:	2.423
Area:	519.36
Solvation:	-10.561
Coulombic:	-57.7082

Bond Count [?]

All:	26
Single:	17
Double:	9
Rotors:	5
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	0.92
LogP (Chemaxon):	None

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value