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

Systemtic Name: 5-(3-chloranyl-4-methyl-phenyl)-1-(4-cyanophenyl)-3-[(4-nitrophenyl)methyl]-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 5-(3-chloro-4-methyl-phenyl)-1-(4-cyanophenyl)-3-[(4-nitrophenyl)methyl]-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 5-(3-chloro-4-methylphenyl)-1-(4-cyanophenyl)-3-[(4-nitrophenyl)methyl]-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 5-(3-chloro-4-methylphenyl)-1-(4-cyanophenyl)-3-[(4-nitrophenyl)methyl]-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 5-(3-chloro-4-methyl-phenyl)-1-(4-cyanophenyl)-4,6-diketo-3-(4-nitrobenzyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C28H21ClN4O6 MolecularWeight: 544.94254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3C(C2=O)C(NC3C4=CC=C(C=C4)C#N)(CC5=CC=C(C=C5)[N+](=O)[O-])C(=O)O)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3C(C2=O)C(NC3C4=CC=C(C=C4)C#N)(CC5=CC=C(C=C5)[N+](=O)[O-])C(=O)O)Cl

InChI

InChI=1S/C28H21ClN4O6/c1-15-2-9-20(12-21(15)29)32-25(34)22-23(26(32)35)28(27(36)37,13-16-5-10-19(11-6-16)33(38)39)31-24(22)18-7-3-17(14-30)4-8-18/h2-12,22-24,31H,13H2,1H3,(H,36,37)