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

Systemtic Name: [1-(4-fluorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl] 4-bromanyl-3-nitro-benzoate Openeye Name: [1-(4-fluorobenzoyl)-2-oxo-azepan-3-yl] 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid [1-[(4-fluorophenyl)-oxomethyl]-2-oxo-3-azepanyl] ester IUPAC Name: [1-(4-fluorobenzoyl)-2-oxoazepan-3-yl] 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid [1-(4-fluorobenzoyl)-2-keto-azepan-3-yl] ester Formula: C20H16BrFN2O6 MolecularWeight: 479.253243

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)OC(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1CCN(C(=O)C(C1)OC(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H16BrFN2O6/c21-15-9-6-13(11-16(15)24(28)29)20(27)30-17-3-1-2-10-23(19(17)26)18(25)12-4-7-14(22)8-5-12/h4-9,11,17H,1-3,10H2