1-(6-chloranyl-7-methyl-4-oxidanylidene-chromen-3-yl)-5-[(4-methoxycarbonylphenyl)methyl]-4,6-bis(oxidanylidene)-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid

Systemtic Name: 1-(6-chloranyl-7-methyl-4-oxidanylidene-chromen-3-yl)-5-[(4-methoxycarbonylphenyl)methyl]-4,6-bis(oxidanylidene)-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 1-(6-chloro-7-methyl-4-oxo-chromen-3-yl)-5-[(4-methoxycarbonylphenyl)methyl]-4,6-dioxo-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 1-(6-chloro-7-methyl-4-oxo-1-benzopyran-3-yl)-5-[(4-methoxycarbonylphenyl)methyl]-4,6-dioxo-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 1-(6-chloro-7-methyl-4-oxochromen-3-yl)-5-[(4-methoxycarbonylphenyl)methyl]-4,6-dioxo-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 5-(4-carbomethoxybenzyl)-1-(6-chloro-4-keto-7-methyl-chromen-3-yl)-4,6-diketo-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C26H21ClN2O8 MolecularWeight: 524.90654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)OC=C(C2=O)C3C4C(C(N3)C(=O)O)C(=O)N(C4=O)CC5=CC=C(C=C5)C(=O)OC)Cl

Isomeric SMILES

CC1=C(C=C2C(=C1)OC=C(C2=O)C3C4C(C(N3)C(=O)O)C(=O)N(C4=O)CC5=CC=C(C=C5)C(=O)OC)Cl

InChI

InChI=1S/C26H21ClN2O8/c1-11-7-17-14(8-16(11)27)22(30)15(10-37-17)20-18-19(21(28-20)25(33)34)24(32)29(23(18)31)9-12-3-5-13(6-4-12)26(35)36-2/h3-8,10,18-21,28H,9H2,1-2H3,(H,33,34)