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Chemical ID: 4333284

c1ccc(cc1)CN2C(C(=C(C2=O)O)C(=O)c3ccccc3)c4cccc(c4)[N+](=O)[O-]

Chemical ID:

4333284

Name [?]:

4-benzoyl-1-benzyl-3-hydroxy-5-(3-nitrophenyl)-5H-pyrrol-2-one

SMILES [?]:

c1ccc(cc1)CN2C(C(=C(C2=O)O)C(=O)c3ccccc3)c4cccc(c4)[N+](=O)[O-]

InChi [?]:

InChI=1/C24H18N2O5/c27-22(17-10-5-2-6-11-17)20-21(18-12-7-13-19(14-18)26(30)31)25(24(29)23(20)28)15-16-8-3-1-4-9-16/h1-14,21,28H,15H2

InChi Info:

AuxInfo=1/0/N:1,20,2,6,19,21,25,3,5,18,22,24,26,28,7,4,17,23,27,10,9,15,11,12,8,29,16,14,13,30,31/E:(3,4)(5,6)(8,9)(10,11)(30,31)/CRV:26.5/rA:31cCCCCCCCNCCCCOOCOCCCCCCCCCCCCN+OO-/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s8s11;d12;s11;s10;d15;s15;s17;d18;s19;d20;d17s21;s9;s23;d24;s25;d26;d23s27;s27;d29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₁₈N₂O₅
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	1

ZAP Information [?]

Total:	5.68817
Area:	595.008
Solvation:	-9.18703
Coulombic:	-57.3554

Bond Count [?]

All:	34
Single:	21
Double:	13
Rotors:	6
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	414.41
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	4.68
LogP (Chemaxon):	3.95

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

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Chemical Mix	Source	External ID	Descriptor	Value