[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 3-nitrobenzoate

Systemtic Name: [2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 3-nitrobenzoate Openeye Name: [2-(3,4-dimethoxyphenyl)-2-oxo-ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-(3,4-dimethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-(3,4-dimethoxyphenyl)-2-keto-ethyl] ester Formula: C17H15NO7 MolecularWeight: 345.3035

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC(=CC=C2)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC(=CC=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C17H15NO7/c1-23-15-7-6-11(9-16(15)24-2)14(19)10-25-17(20)12-4-3-5-13(8-12)18(21)22/h3-9H,10H2,1-2H3