5-(3-chloranyl-4-methyl-phenyl)-1-(4-methoxycarbonylphenyl)-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-methoxycarbonylphenyl)-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-methoxycarbonylphenyl)-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-methoxycarbonylphenyl)-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-methoxycarbonylphenyl)-3-[(4-nitrophenyl)methyl]-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 1-(4-carbomethoxyphenyl)-5-(3-chloro-4-methyl-phenyl)-4,6-diketo-3-(4-nitrobenzyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C29H24ClN3O8 MolecularWeight: 577.96916

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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(=O)OC)(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(=O)OC)(CC5=CC=C(C=C5)[N+](=O)[O-])C(=O)O)Cl

InChI

InChI=1S/C29H24ClN3O8/c1-15-3-10-20(13-21(15)30)32-25(34)22-23(26(32)35)29(28(37)38,14-16-4-11-19(12-5-16)33(39)40)31-24(22)17-6-8-18(9-7-17)27(36)41-2/h3-13,22-24,31H,14H2,1-2H3,(H,37,38)