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

Systemtic Name: (4-ethoxycarbonylphenyl)methyl 2-(4-methyl-2-nitro-phenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: (4-ethoxycarbonylphenyl)methyl 2-(4-methyl-2-nitro-phenyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(4-methyl-2-nitrophenyl)-1,3-dioxo-5-isoindolecarboxylic acid (4-ethoxycarbonylphenyl)methyl ester IUPAC Name: (4-ethoxycarbonylphenyl)methyl 2-(4-methyl-2-nitrophenyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-(4-methyl-2-nitro-phenyl)isoindoline-5-carboxylic acid (4-carbethoxybenzyl) ester Formula: C26H20N2O8 MolecularWeight: 488.4456

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)COC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=C(C=C(C=C4)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)COC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=C(C=C(C=C4)C)[N+](=O)[O-]

InChI

InChI=1S/C26H20N2O8/c1-3-35-25(31)17-7-5-16(6-8-17)14-36-26(32)18-9-10-19-20(13-18)24(30)27(23(19)29)21-11-4-15(2)12-22(21)28(33)34/h4-13H,3,14H2,1-2H3