1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-(1H-indol-3-ylmethyl)-5-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid

Systemtic Name: 1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-(1H-indol-3-ylmethyl)-5-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-(1H-indol-3-ylmethyl)-5-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-(1H-indol-3-ylmethyl)-5-[2-(2-methyl-5-nitro-1-imidazolyl)ethyl]-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(1H-indol-3-ylmethyl)-5-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 3-(1H-indol-3-ylmethyl)-4,6-diketo-1-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-5-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C33H32N8O7 MolecularWeight: 652.65658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C3C4C(C(=O)N(C4=O)CCN5C(=NC=C5[N+](=O)[O-])C)C(N3)(CC6=CNC7=CC=CC=C76)C(=O)O

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C3C4C(C(=O)N(C4=O)CCN5C(=NC=C5[N+](=O)[O-])C)C(N3)(CC6=CNC7=CC=CC=C76)C(=O)O

InChI

InChI=1S/C33H32N8O7/c1-18-25(30(43)40(37(18)3)21-9-5-4-6-10-21)28-26-27(31(44)39(29(26)42)14-13-38-19(2)34-17-24(38)41(47)48)33(36-28,32(45)46)15-20-16-35-23-12-8-7-11-22(20)23/h4-12,16-17,26-28,35-36H,13-15H2,1-3H3,(H,45,46)