methyl 7-acetyloxy-2-(4,5-diacetyloxy-2-nitro-phenyl)-5-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]-2,3-dihydro-1-benzofuran-3-carboxylate

Systemtic Name: methyl 7-acetyloxy-2-(4,5-diacetyloxy-2-nitro-phenyl)-5-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]-2,3-dihydro-1-benzofuran-3-carboxylate Openeye Name: methyl 7-acetoxy-2-(4,5-diacetoxy-2-nitro-phenyl)-5-[(E)-3-methoxy-3-oxo-prop-1-enyl]-2,3-dihydrobenzofuran-3-carboxylate CAS Name: 7-acetyloxy-2-(4,5-diacetyloxy-2-nitrophenyl)-5-[(E)-3-methoxy-3-oxoprop-1-enyl]-2,3-dihydrobenzofuran-3-carboxylic acid methyl ester IUPAC Name: methyl 7-acetyloxy-2-(4,5-diacetyloxy-2-nitrophenyl)-5-[(E)-3-methoxy-3-oxoprop-1-enyl]-2,3-dihydro-1-benzofuran-3-carboxylate Traditional Name: 7-acetoxy-2-(4,5-diacetoxy-2-nitro-phenyl)-5-[(E)-3-keto-3-methoxy-prop-1-enyl]coumaran-3-carboxylic acid methyl ester Formula: C26H23NO13 MolecularWeight: 557.45972

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC(=CC2=C1OC(C2C(=O)OC)C3=CC(=C(C=C3[N+](=O)[O-])OC(=O)C)OC(=O)C)C=CC(=O)OC

Isomeric SMILES

CC(=O)OC1=CC(=CC2=C1OC(C2C(=O)OC)C3=CC(=C(C=C3[N+](=O)[O-])OC(=O)C)OC(=O)C)/C=C/C(=O)OC

InChI

InChI=1S/C26H23NO13/c1-12(28)37-19-10-16(18(27(33)34)11-20(19)38-13(2)29)25-23(26(32)36-5)17-8-15(6-7-22(31)35-4)9-21(24(17)40-25)39-14(3)30/h6-11,23,25H,1-5H3/b7-6+