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

Systemtic Name: 3-[(4-hydroxyphenyl)methyl]-1-(3-methoxy-2-phenylmethoxy-phenyl)-5-(3-nitrophenyl)-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 1-(2-benzyloxy-3-methoxy-phenyl)-3-[(4-hydroxyphenyl)methyl]-5-(3-nitrophenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 3-[(4-hydroxyphenyl)methyl]-1-(3-methoxy-2-phenylmethoxyphenyl)-5-(3-nitrophenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 3-[(4-hydroxyphenyl)methyl]-1-(3-methoxy-2-phenylmethoxyphenyl)-5-(3-nitrophenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 1-(2-benzoxy-3-methoxy-phenyl)-3-(4-hydroxybenzyl)-4,6-diketo-5-(3-nitrophenyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C34H29N3O9 MolecularWeight: 623.60876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H29N3O9/c1-45-26-12-6-11-25(30(26)46-19-21-7-3-2-4-8-21)29-27-28(34(35-29,33(41)42)18-20-13-15-24(38)16-14-20)32(40)36(31(27)39)22-9-5-10-23(17-22)37(43)44/h2-17,27-29,35,38H,18-19H2,1H3,(H,41,42)