(E)-1-(4-methylphenyl)-3-(3-nitro-4-piperidin-1-yl-phenyl)prop-2-en-1-one

Systemtic Name: (E)-1-(4-methylphenyl)-3-(3-nitro-4-piperidin-1-yl-phenyl)prop-2-en-1-one Openeye Name: (E)-3-[3-nitro-4-(1-piperidyl)phenyl]-1-(p-tolyl)prop-2-en-1-one CAS Name: (E)-1-(4-methylphenyl)-3-[3-nitro-4-(1-piperidinyl)phenyl]-2-propen-1-one IUPAC Name: (E)-1-(4-methylphenyl)-3-(3-nitro-4-piperidin-1-ylphenyl)prop-2-en-1-one Traditional Name: (E)-3-(3-nitro-4-piperidino-phenyl)-1-(p-tolyl)prop-2-en-1-one Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C=CC2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)/C=C/C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O3/c1-16-5-9-18(10-6-16)21(24)12-8-17-7-11-19(20(15-17)23(25)26)22-13-3-2-4-14-22/h5-12,15H,2-4,13-14H2,1H3/b12-8+