3-(1-hydroxyethyl)-1-(3-methoxy-2-phenylmethoxy-phenyl)-5-(3-nitrophenyl)-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid

Systemtic Name: 3-(1-hydroxyethyl)-1-(3-methoxy-2-phenylmethoxy-phenyl)-5-(3-nitrophenyl)-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 1-(2-benzyloxy-3-methoxy-phenyl)-3-(1-hydroxyethyl)-5-(3-nitrophenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 3-(1-hydroxyethyl)-1-(3-methoxy-2-phenylmethoxyphenyl)-5-(3-nitrophenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 3-(1-hydroxyethyl)-1-(3-methoxy-2-phenylmethoxyphenyl)-5-(3-nitrophenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 1-(2-benzoxy-3-methoxy-phenyl)-3-(1-hydroxyethyl)-4,6-diketo-5-(3-nitrophenyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C29H27N3O9 MolecularWeight: 561.53938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1(C2C(C(N1)C3=C(C(=CC=C3)OC)OCC4=CC=CC=C4)C(=O)N(C2=O)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)O)O

Isomeric SMILES

CC(C1(C2C(C(N1)C3=C(C(=CC=C3)OC)OCC4=CC=CC=C4)C(=O)N(C2=O)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)O)O

InChI

InChI=1S/C29H27N3O9/c1-16(33)29(28(36)37)23-22(26(34)31(27(23)35)18-10-6-11-19(14-18)32(38)39)24(30-29)20-12-7-13-21(40-2)25(20)41-15-17-8-4-3-5-9-17/h3-14,16,22-24,30,33H,15H2,1-2H3,(H,36,37)