(E)-1-(azepan-1-yl)-3-(4-chloranyl-3-nitro-phenyl)prop-2-en-1-one

Systemtic Name: (E)-1-(azepan-1-yl)-3-(4-chloranyl-3-nitro-phenyl)prop-2-en-1-one Openeye Name: (E)-1-(azepan-1-yl)-3-(4-chloro-3-nitro-phenyl)prop-2-en-1-one CAS Name: (E)-1-(1-azepanyl)-3-(4-chloro-3-nitrophenyl)-2-propen-1-one IUPAC Name: (E)-1-(azepan-1-yl)-3-(4-chloro-3-nitrophenyl)prop-2-en-1-one Traditional Name: (E)-1-(azepan-1-yl)-3-(4-chloro-3-nitro-phenyl)prop-2-en-1-one Formula: C15H17ClN2O3 MolecularWeight: 308.76008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C=CC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=O)/C=C/C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C15H17ClN2O3/c16-13-7-5-12(11-14(13)18(20)21)6-8-15(19)17-9-3-1-2-4-10-17/h5-8,11H,1-4,9-10H2/b8-6+