(4-aminocarbonyl-2-nitro-phenyl)methyl 2-(4-ethoxyphenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 2-(4-ethoxyphenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 2-(4-ethoxyphenyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(4-ethoxyphenyl)-1,3-dioxo-5-isoindolecarboxylic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 2-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-p-phenetyl-isoindoline-5-carboxylic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C25H19N3O8 MolecularWeight: 489.43366

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C25H19N3O8/c1-2-35-18-8-6-17(7-9-18)27-23(30)19-10-5-15(11-20(19)24(27)31)25(32)36-13-16-4-3-14(22(26)29)12-21(16)28(33)34/h3-12H,2,13H2,1H3,(H2,26,29)