5-(3-chloranyl-4-methyl-phenyl)-1-(4-cyanophenyl)-3-(1H-indol-3-ylmethyl)-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-(1H-indol-3-ylmethyl)-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-(1H-indol-3-ylmethyl)-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-(1H-indol-3-ylmethyl)-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-(1H-indol-3-ylmethyl)-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)-3-(1H-indol-3-ylmethyl)-4,6-diketo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C30H23ClN4O4 MolecularWeight: 538.98102

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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=CNC6=CC=CC=C65)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=CNC6=CC=CC=C65)C(=O)O)Cl

InChI

InChI=1S/C30H23ClN4O4/c1-16-6-11-20(12-22(16)31)35-27(36)24-25(28(35)37)30(29(38)39,13-19-15-33-23-5-3-2-4-21(19)23)34-26(24)18-9-7-17(14-32)8-10-18/h2-12,15,24-26,33-34H,13H2,1H3,(H,38,39)