5-[(4-methoxycarbonylphenyl)methyl]-3-[(4-nitrophenyl)methyl]-4,6-bis(oxidanylidene)-1-(4-phenylphenyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid

Systemtic Name: 5-[(4-methoxycarbonylphenyl)methyl]-3-[(4-nitrophenyl)methyl]-4,6-bis(oxidanylidene)-1-(4-phenylphenyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 5-[(4-methoxycarbonylphenyl)methyl]-3-[(4-nitrophenyl)methyl]-4,6-dioxo-1-(4-phenylphenyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 5-[(4-methoxycarbonylphenyl)methyl]-3-[(4-nitrophenyl)methyl]-4,6-dioxo-1-(4-phenylphenyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 5-[(4-methoxycarbonylphenyl)methyl]-3-[(4-nitrophenyl)methyl]-4,6-dioxo-1-(4-phenylphenyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 5-(4-carbomethoxybenzyl)-4,6-diketo-3-(4-nitrobenzyl)-1-(4-phenylphenyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C35H29N3O8 MolecularWeight: 619.62006

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2C(=O)C3C(C2=O)C(NC3C4=CC=C(C=C4)C5=CC=CC=C5)(CC6=CC=C(C=C6)[N+](=O)[O-])C(=O)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2C(=O)C3C(C2=O)C(NC3C4=CC=C(C=C4)C5=CC=CC=C5)(CC6=CC=C(C=C6)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C35H29N3O8/c1-46-33(41)26-11-7-22(8-12-26)20-37-31(39)28-29(32(37)40)35(34(42)43,19-21-9-17-27(18-10-21)38(44)45)36-30(28)25-15-13-24(14-16-25)23-5-3-2-4-6-23/h2-18,28-30,36H,19-20H2,1H3,(H,42,43)