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

Systemtic Name: (E)-1-[4-(4-methylphenyl)carbonylpiperazin-1-yl]-3-(2-nitrophenyl)prop-2-en-1-one Openeye Name: (E)-1-[4-(4-methylbenzoyl)piperazin-1-yl]-3-(2-nitrophenyl)prop-2-en-1-one CAS Name: (E)-1-[4-[(4-methylphenyl)-oxomethyl]-1-piperazinyl]-3-(2-nitrophenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(4-methylbenzoyl)piperazin-1-yl]-3-(2-nitrophenyl)prop-2-en-1-one Traditional Name: (E)-3-(2-nitrophenyl)-1-(4-p-toluoylpiperazino)prop-2-en-1-one Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C=CC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)/C=C/C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O4/c1-16-6-8-18(9-7-16)21(26)23-14-12-22(13-15-23)20(25)11-10-17-4-2-3-5-19(17)24(27)28/h2-11H,12-15H2,1H3/b11-10+