5-[[9,10-bis(oxidanylidene)anthracen-2-yl]methyl]-1-(6-chloranyl-7-methyl-4-oxidanylidene-chromen-3-yl)-3-[(4-nitrophenyl)methyl]-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid

Systemtic Name: 5-[[9,10-bis(oxidanylidene)anthracen-2-yl]methyl]-1-(6-chloranyl-7-methyl-4-oxidanylidene-chromen-3-yl)-3-[(4-nitrophenyl)methyl]-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 1-(6-chloro-7-methyl-4-oxo-chromen-3-yl)-5-[(9,10-dioxo-2-anthryl)methyl]-3-[(4-nitrophenyl)methyl]-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 1-(6-chloro-7-methyl-4-oxo-1-benzopyran-3-yl)-5-[(9,10-dioxo-2-anthracenyl)methyl]-3-[(4-nitrophenyl)methyl]-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 1-(6-chloro-7-methyl-4-oxochromen-3-yl)-5-[(9,10-dioxoanthracen-2-yl)methyl]-3-[(4-nitrophenyl)methyl]-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 1-(6-chloro-4-keto-7-methyl-chromen-3-yl)-5-[(9,10-diketo-2-anthryl)methyl]-4,6-diketo-3-(4-nitrobenzyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C39H26ClN3O10 MolecularWeight: 732.09084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)OC=C(C2=O)C3C4C(C(=O)N(C4=O)CC5=CC6=C(C=C5)C(=O)C7=CC=CC=C7C6=O)C(N3)(CC8=CC=C(C=C8)[N+](=O)[O-])C(=O)O)Cl

Isomeric SMILES

CC1=C(C=C2C(=C1)OC=C(C2=O)C3C4C(C(=O)N(C4=O)CC5=CC6=C(C=C5)C(=O)C7=CC=CC=C7C6=O)C(N3)(CC8=CC=C(C=C8)[N+](=O)[O-])C(=O)O)Cl

InChI

InChI=1S/C39H26ClN3O10/c1-18-12-29-26(14-28(18)40)35(46)27(17-53-29)32-30-31(39(41-32,38(49)50)15-19-6-9-21(10-7-19)43(51)52)37(48)42(36(30)47)16-20-8-11-24-25(13-20)34(45)23-5-3-2-4-22(23)33(24)44/h2-14,17,30-32,41H,15-16H2,1H3,(H,49,50)