1-(3-methoxy-2-phenylmethoxy-phenyl)-5-[(5-nitrofuran-2-yl)methyl]-4,6-bis(oxidanylidene)-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid

Systemtic Name: 1-(3-methoxy-2-phenylmethoxy-phenyl)-5-[(5-nitrofuran-2-yl)methyl]-4,6-bis(oxidanylidene)-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 1-(2-benzyloxy-3-methoxy-phenyl)-5-[(5-nitro-2-furyl)methyl]-4,6-dioxo-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 1-(3-methoxy-2-phenylmethoxyphenyl)-5-[(5-nitro-2-furanyl)methyl]-4,6-dioxo-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 1-(3-methoxy-2-phenylmethoxyphenyl)-5-[(5-nitrofuran-2-yl)methyl]-4,6-dioxo-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 1-(2-benzoxy-3-methoxy-phenyl)-4,6-diketo-5-[(5-nitro-2-furyl)methyl]-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C26H23N3O9 MolecularWeight: 521.47552

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OCC2=CC=CC=C2)C3C4C(C(N3)C(=O)O)C(=O)N(C4=O)CC5=CC=C(O5)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1OCC2=CC=CC=C2)C3C4C(C(N3)C(=O)O)C(=O)N(C4=O)CC5=CC=C(O5)[N+](=O)[O-]

InChI

InChI=1S/C26H23N3O9/c1-36-17-9-5-8-16(23(17)37-13-14-6-3-2-4-7-14)21-19-20(22(27-21)26(32)33)25(31)28(24(19)30)12-15-10-11-18(38-15)29(34)35/h2-11,19-22,27H,12-13H2,1H3,(H,32,33)