1-(3,5-dimethoxy-2-methoxycarbonyl-phenyl)-3-[(4-hydroxyphenyl)methyl]-5-(3-nitrophenyl)-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid

Systemtic Name: 1-(3,5-dimethoxy-2-methoxycarbonyl-phenyl)-3-[(4-hydroxyphenyl)methyl]-5-(3-nitrophenyl)-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 1-(3,5-dimethoxy-2-methoxycarbonyl-phenyl)-3-[(4-hydroxyphenyl)methyl]-5-(3-nitrophenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 1-(3,5-dimethoxy-2-methoxycarbonylphenyl)-3-[(4-hydroxyphenyl)methyl]-5-(3-nitrophenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 1-(3,5-dimethoxy-2-methoxycarbonylphenyl)-3-[(4-hydroxyphenyl)methyl]-5-(3-nitrophenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 1-(2-carbomethoxy-3,5-dimethoxy-phenyl)-3-(4-hydroxybenzyl)-4,6-diketo-5-(3-nitrophenyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C30H27N3O11 MolecularWeight: 605.54888

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1)C2C3C(C(=O)N(C3=O)C4=CC(=CC=C4)[N+](=O)[O-])C(N2)(CC5=CC=C(C=C5)O)C(=O)O)C(=O)OC)OC

Isomeric SMILES

COC1=CC(=C(C(=C1)C2C3C(C(=O)N(C3=O)C4=CC(=CC=C4)[N+](=O)[O-])C(N2)(CC5=CC=C(C=C5)O)C(=O)O)C(=O)OC)OC

InChI

InChI=1S/C30H27N3O11/c1-42-19-12-20(22(28(37)44-3)21(13-19)43-2)25-23-24(30(31-25,29(38)39)14-15-7-9-18(34)10-8-15)27(36)32(26(23)35)16-5-4-6-17(11-16)33(40)41/h4-13,23-25,31,34H,14H2,1-3H3,(H,38,39)