[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 4,5-dimethoxy-2-nitro-benzoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C17H22N2O7 MolecularWeight: 366.36578

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC(=O)N2CCCCCC2)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC(=O)N2CCCCCC2)[N+](=O)[O-])OC

InChI

InChI=1S/C17H22N2O7/c1-24-14-9-12(13(19(22)23)10-15(14)25-2)17(21)26-11-16(20)18-7-5-3-4-6-8-18/h9-10H,3-8,11H2,1-2H3