[1-(4-fluorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl] 4-methoxy-3-nitro-benzoate

Systemtic Name: [1-(4-fluorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl] 4-methoxy-3-nitro-benzoate Openeye Name: [1-(4-fluorobenzoyl)-2-oxo-azepan-3-yl] 4-methoxy-3-nitro-benzoate CAS Name: 4-methoxy-3-nitrobenzoic acid [1-[(4-fluorophenyl)-oxomethyl]-2-oxo-3-azepanyl] ester IUPAC Name: [1-(4-fluorobenzoyl)-2-oxoazepan-3-yl] 4-methoxy-3-nitrobenzoate Traditional Name: 4-methoxy-3-nitro-benzoic acid [1-(4-fluorobenzoyl)-2-keto-azepan-3-yl] ester Formula: C21H19FN2O7 MolecularWeight: 430.383163

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OC2CCCCN(C2=O)C(=O)C3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OC2CCCCN(C2=O)C(=O)C3=CC=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C21H19FN2O7/c1-30-17-10-7-14(12-16(17)24(28)29)21(27)31-18-4-2-3-11-23(20(18)26)19(25)13-5-8-15(22)9-6-13/h5-10,12,18H,2-4,11H2,1H3