[6-(4-methoxyphenyl)-1,3-dimethyl-8-oxidanylidene-cyclohepta[c]furan-4-yl] 3-nitrobenzoate

Systemtic Name: [6-(4-methoxyphenyl)-1,3-dimethyl-8-oxidanylidene-cyclohepta[c]furan-4-yl] 3-nitrobenzoate Openeye Name: [6-(4-methoxyphenyl)-1,3-dimethyl-8-oxo-cyclohepta[c]furan-4-yl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [6-(4-methoxyphenyl)-1,3-dimethyl-8-oxo-4-cyclohepta[c]furanyl] ester IUPAC Name: [6-(4-methoxyphenyl)-1,3-dimethyl-8-oxocyclohepta[c]furan-4-yl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [8-keto-6-(4-methoxyphenyl)-1,3-dimethyl-cyclohepta[c]furan-4-yl] ester Formula: C25H19NO7 MolecularWeight: 445.42086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=CC(=O)C2=C(O1)C)C3=CC=C(C=C3)OC)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C2C(=CC(=CC(=O)C2=C(O1)C)C3=CC=C(C=C3)OC)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H19NO7/c1-14-23-21(27)12-18(16-7-9-20(31-3)10-8-16)13-22(24(23)15(2)32-14)33-25(28)17-5-4-6-19(11-17)26(29)30/h4-13H,1-3H3