(E)-3-(3-chlorophenyl)-1-[4-(3-nitropyridin-2-yl)piperazin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(3-chlorophenyl)-1-[4-(3-nitropyridin-2-yl)piperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(3-chlorophenyl)-1-[4-(3-nitro-2-pyridyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(3-chlorophenyl)-1-[4-(3-nitro-2-pyridinyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(3-chlorophenyl)-1-[4-(3-nitropyridin-2-yl)piperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(3-chlorophenyl)-1-[4-(3-nitro-2-pyridyl)piperazino]prop-2-en-1-one Formula: C18H17ClN4O3 MolecularWeight: 372.80558

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=CC=N2)[N+](=O)[O-])C(=O)C=CC3=CC(=CC=C3)Cl

Isomeric SMILES

C1CN(CCN1C2=C(C=CC=N2)[N+](=O)[O-])C(=O)/C=C/C3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H17ClN4O3/c19-15-4-1-3-14(13-15)6-7-17(24)21-9-11-22(12-10-21)18-16(23(25)26)5-2-8-20-18/h1-8,13H,9-12H2/b7-6+