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

Systemtic Name: 1-(3-methoxy-2-phenylmethoxy-phenyl)-5-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-3-[(4-nitrophenyl)methyl]-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 1-(2-benzyloxy-3-methoxy-phenyl)-5-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-3-[(4-nitrophenyl)methyl]-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 1-(3-methoxy-2-phenylmethoxyphenyl)-5-[2-(2-methyl-5-nitro-1-imidazolyl)ethyl]-3-[(4-nitrophenyl)methyl]-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 1-(3-methoxy-2-phenylmethoxyphenyl)-5-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]-3-[(4-nitrophenyl)methyl]-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 1-(2-benzoxy-3-methoxy-phenyl)-4,6-diketo-5-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-3-(4-nitrobenzyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C34H32N6O10 MolecularWeight: 684.65208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCN2C(=O)C3C(C2=O)C(NC3C4=C(C(=CC=C4)OC)OCC5=CC=CC=C5)(CC6=CC=C(C=C6)[N+](=O)[O-])C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCN2C(=O)C3C(C2=O)C(NC3C4=C(C(=CC=C4)OC)OCC5=CC=CC=C5)(CC6=CC=C(C=C6)[N+](=O)[O-])C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C34H32N6O10/c1-20-35-18-26(40(47)48)37(20)15-16-38-31(41)27-28(32(38)42)34(33(43)44,17-21-11-13-23(14-12-21)39(45)46)36-29(27)24-9-6-10-25(49-2)30(24)50-19-22-7-4-3-5-8-22/h3-14,18,27-29,36H,15-17,19H2,1-2H3,(H,43,44)