(E)-1-[4-(2-methylphenyl)piperazin-1-yl]-3-(4-nitrophenyl)prop-2-en-1-one

Systemtic Name: (E)-1-[4-(2-methylphenyl)piperazin-1-yl]-3-(4-nitrophenyl)prop-2-en-1-one Openeye Name: (E)-3-(4-nitrophenyl)-1-[4-(o-tolyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-1-[4-(2-methylphenyl)-1-piperazinyl]-3-(4-nitrophenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(2-methylphenyl)piperazin-1-yl]-3-(4-nitrophenyl)prop-2-en-1-one Traditional Name: (E)-3-(4-nitrophenyl)-1-[4-(o-tolyl)piperazino]prop-2-en-1-one Formula: C20H21N3O3 MolecularWeight: 351.39904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C(=O)/C=C/C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O3/c1-16-4-2-3-5-19(16)21-12-14-22(15-13-21)20(24)11-8-17-6-9-18(10-7-17)23(25)26/h2-11H,12-15H2,1H3/b11-8+