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

Systemtic Name: [1-(4-fluorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl] (E)-3-(2-nitrophenyl)prop-2-enoate Openeye Name: [1-(4-fluorobenzoyl)-2-oxo-azepan-3-yl] (E)-3-(2-nitrophenyl)prop-2-enoate CAS Name: (E)-3-(2-nitrophenyl)-2-propenoic acid [1-[(4-fluorophenyl)-oxomethyl]-2-oxo-3-azepanyl] ester IUPAC Name: [1-(4-fluorobenzoyl)-2-oxoazepan-3-yl] (E)-3-(2-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(2-nitrophenyl)acrylic acid [1-(4-fluorobenzoyl)-2-keto-azepan-3-yl] ester Formula: C22H19FN2O6 MolecularWeight: 426.394463

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19FN2O6/c23-17-11-8-16(9-12-17)21(27)24-14-4-3-7-19(22(24)28)31-20(26)13-10-15-5-1-2-6-18(15)25(29)30/h1-2,5-6,8-13,19H,3-4,7,14H2/b13-10+