1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-5-(3-nitrophenyl)-4,6-bis(oxidanylidene)-3-propan-2-yl-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)-5-(3-nitrophenyl)-4,6-bis(oxidanylidene)-3-propan-2-yl-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-isopropyl-5-(3-nitrophenyl)-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)-5-(3-nitrophenyl)-4,6-dioxo-3-propan-2-yl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(3-nitrophenyl)-4,6-dioxo-3-propan-2-yl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 3-isopropyl-4,6-diketo-1-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-5-(3-nitrophenyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C27H27N5O7 MolecularWeight: 533.53258

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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)C5=CC(=CC=C5)[N+](=O)[O-])C(N3)(C(C)C)C(=O)O

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C3C4C(C(=O)N(C4=O)C5=CC(=CC=C5)[N+](=O)[O-])C(N3)(C(C)C)C(=O)O

InChI

InChI=1S/C27H27N5O7/c1-14(2)27(26(36)37)21-20(23(33)30(25(21)35)17-11-8-12-18(13-17)32(38)39)22(28-27)19-15(3)29(4)31(24(19)34)16-9-6-5-7-10-16/h5-14,20-22,28H,1-4H3,(H,36,37)