1-(3-methoxy-2-phenylmethoxy-phenyl)-3-[(4-nitrophenyl)methyl]-4,6-bis(oxidanylidene)-5-(2-phenylazanylethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid

Systemtic Name: 1-(3-methoxy-2-phenylmethoxy-phenyl)-3-[(4-nitrophenyl)methyl]-4,6-bis(oxidanylidene)-5-(2-phenylazanylethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 5-(2-anilinoethyl)-1-(2-benzyloxy-3-methoxy-phenyl)-3-[(4-nitrophenyl)methyl]-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 5-(2-anilinoethyl)-1-(3-methoxy-2-phenylmethoxyphenyl)-3-[(4-nitrophenyl)methyl]-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 5-(2-anilinoethyl)-1-(3-methoxy-2-phenylmethoxyphenyl)-3-[(4-nitrophenyl)methyl]-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 5-(2-anilinoethyl)-1-(2-benzoxy-3-methoxy-phenyl)-4,6-diketo-3-(4-nitrobenzyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C36H34N4O8 MolecularWeight: 650.67716

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OCC2=CC=CC=C2)C3C4C(C(=O)N(C4=O)CCNC5=CC=CC=C5)C(N3)(CC6=CC=C(C=C6)[N+](=O)[O-])C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1OCC2=CC=CC=C2)C3C4C(C(=O)N(C4=O)CCNC5=CC=CC=C5)C(N3)(CC6=CC=C(C=C6)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C36H34N4O8/c1-47-28-14-8-13-27(32(28)48-22-24-9-4-2-5-10-24)31-29-30(34(42)39(33(29)41)20-19-37-25-11-6-3-7-12-25)36(38-31,35(43)44)21-23-15-17-26(18-16-23)40(45)46/h2-18,29-31,37-38H,19-22H2,1H3,(H,43,44)