1-(3-methoxy-2-phenylmethoxy-phenyl)-3-[(4-nitrophenyl)methyl]-4,6-bis(oxidanylidene)-5-(pyridin-2-ylmethyl)-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-(pyridin-2-ylmethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 1-(2-benzyloxy-3-methoxy-phenyl)-3-[(4-nitrophenyl)methyl]-4,6-dioxo-5-(2-pyridylmethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 1-(3-methoxy-2-phenylmethoxyphenyl)-3-[(4-nitrophenyl)methyl]-4,6-dioxo-5-(2-pyridinylmethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 1-(3-methoxy-2-phenylmethoxyphenyl)-3-[(4-nitrophenyl)methyl]-4,6-dioxo-5-(pyridin-2-ylmethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 1-(2-benzoxy-3-methoxy-phenyl)-4,6-diketo-3-(4-nitrobenzyl)-5-(2-pyridylmethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C34H30N4O8 MolecularWeight: 622.624

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OCC2=CC=CC=C2)C3C4C(C(=O)N(C4=O)CC5=CC=CC=N5)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)CC5=CC=CC=N5)C(N3)(CC6=CC=C(C=C6)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C34H30N4O8/c1-45-26-12-7-11-25(30(26)46-20-22-8-3-2-4-9-22)29-27-28(32(40)37(31(27)39)19-23-10-5-6-17-35-23)34(36-29,33(41)42)18-21-13-15-24(16-14-21)38(43)44/h2-17,27-29,36H,18-20H2,1H3,(H,41,42)