5-(3-chloranyl-4-methyl-phenyl)-1-(2-methoxyphenyl)-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-(2-methoxyphenyl)-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-(2-methoxyphenyl)-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-(2-methoxyphenyl)-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-(2-methoxyphenyl)-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)-4,6-diketo-1-(2-methoxyphenyl)-3-(4-nitrobenzyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C28H24ClN3O7 MolecularWeight: 549.95906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3C(C2=O)C(NC3C4=CC=CC=C4OC)(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=CC=C4OC)(CC5=CC=C(C=C5)[N+](=O)[O-])C(=O)O)Cl

InChI

InChI=1S/C28H24ClN3O7/c1-15-7-10-18(13-20(15)29)31-25(33)22-23(26(31)34)28(27(35)36,14-16-8-11-17(12-9-16)32(37)38)30-24(22)19-5-3-4-6-21(19)39-2/h3-13,22-24,30H,14H2,1-2H3,(H,35,36)