[1-(4-fluorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl] (E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoate

Systemtic Name: [1-(4-fluorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl] (E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoate Openeye Name: [1-(4-fluorobenzoyl)-2-oxo-azepan-3-yl] (E)-3-(4-chloro-3-nitro-phenyl)prop-2-enoate CAS Name: (E)-3-(4-chloro-3-nitrophenyl)-2-propenoic acid [1-[(4-fluorophenyl)-oxomethyl]-2-oxo-3-azepanyl] ester IUPAC Name: [1-(4-fluorobenzoyl)-2-oxoazepan-3-yl] (E)-3-(4-chloro-3-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(4-chloro-3-nitro-phenyl)acrylic acid [1-(4-fluorobenzoyl)-2-keto-azepan-3-yl] ester Formula: C22H18ClFN2O6 MolecularWeight: 460.839523

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)OC(=O)C=CC2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

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

InChI

InChI=1S/C22H18ClFN2O6/c23-17-10-4-14(13-18(17)26(30)31)5-11-20(27)32-19-3-1-2-12-25(22(19)29)21(28)15-6-8-16(24)9-7-15/h4-11,13,19H,1-3,12H2/b11-5+