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

Systemtic Name: 3-(carboxymethyl)-5-(3-chloranyl-4-methyl-phenyl)-1-(4-dimethylaminophenyl)-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 3-(carboxymethyl)-5-(3-chloro-4-methyl-phenyl)-1-(4-dimethylaminophenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 3-(carboxymethyl)-5-(3-chloro-4-methylphenyl)-1-(4-dimethylaminophenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 3-(carboxymethyl)-5-(3-chloro-4-methylphenyl)-1-(4-dimethylaminophenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 3-(carboxymethyl)-5-(3-chloro-4-methyl-phenyl)-1-(4-dimethylaminophenyl)-4,6-diketo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C24H24ClN3O6 MolecularWeight: 485.91686

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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)N(C)C)(CC(=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)N(C)C)(CC(=O)O)C(=O)O)Cl

InChI

InChI=1S/C24H24ClN3O6/c1-12-4-7-15(10-16(12)25)28-21(31)18-19(22(28)32)24(23(33)34,11-17(29)30)26-20(18)13-5-8-14(9-6-13)27(2)3/h4-10,18-20,26H,11H2,1-3H3,(H,29,30)(H,33,34)