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

Systemtic Name: (E)-3-(4-chloranyl-3-nitro-phenyl)-1-(4-methylpiperazin-1-yl)prop-2-en-1-one hydrochloride Openeye Name: (E)-3-(4-chloro-3-nitro-phenyl)-1-(4-methylpiperazin-1-yl)prop-2-en-1-one hydrochloride CAS Name: (E)-3-(4-chloro-3-nitrophenyl)-1-(4-methyl-1-piperazinyl)-2-propen-1-one hydrochloride IUPAC Name: (E)-3-(4-chloro-3-nitrophenyl)-1-(4-methylpiperazin-1-yl)prop-2-en-1-one hydrochloride Traditional Name: (E)-3-(4-chloro-3-nitro-phenyl)-1-(4-methylpiperazino)prop-2-en-1-one hydrochloride Formula: C14H17Cl2N3O3 MolecularWeight: 346.20908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C=CC2=CC(=C(C=C2)Cl)[N+](=O)[O-].Cl

Isomeric SMILES

CN1CCN(CC1)C(=O)/C=C/C2=CC(=C(C=C2)Cl)[N+](=O)[O-].Cl

InChI

InChI=1S/C14H16ClN3O3.ClH/c1-16-6-8-17(9-7-16)14(19)5-3-11-2-4-12(15)13(10-11)18(20)21;/h2-5,10H,6-9H2,1H3;1H/b5-3+;