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Chemical ID: 7510285

Cc1cc(ccc1[N+](=O)[O-])C(=O)Nc2ccc(cc2)OCC(=O)OC

Chemical ID:

7510285

Name [?]:

methyl 2-[4-(3-methyl-4-nitro-benzoyl)aminophenoxy]acetate

SMILES [?]:

Cc1cc(ccc1[N+](=O)[O-])C(=O)Nc2ccc(cc2)OCC(=O)OC

InChi [?]:

InChI=1/C17H16N2O6/c1-11-9-12(3-8-15(11)19(22)23)17(21)18-13-4-6-14(7-5-13)25-10-16(20)24-2/h3-9H,10H2,1-2H3,(H,18,21)

InChi Info:

AuxInfo=1/1/N:1,25,5,15,19,16,18,6,3,21,2,4,14,17,7,22,11,13,8,23,12,9,10,24,20/E:(4,5)(6,7)(22,23)/CRV:19.5/rA:25nCCCCCCCN+OO-CONCCCCCCOCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s4;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;s20;s21;d22;s22;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₆N₂O₆
All Atoms:	41
Heavy Atoms:	25
Chiral Atoms:	None

ZAP Information [?]

Total:	4.10844
Area:	566.453
Solvation:	-10.0529
Coulombic:	-58.8351

Bond Count [?]

All:	26
Single:	17
Double:	9
Rotors:	8
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	2.61
LogP (Chemaxon):	None

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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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