(E)-3-(2-methoxy-5-methyl-phenyl)-1-[4-(4-nitrophenyl)piperazin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(2-methoxy-5-methyl-phenyl)-1-[4-(4-nitrophenyl)piperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(2-methoxy-5-methyl-phenyl)-1-[4-(4-nitrophenyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(2-methoxy-5-methylphenyl)-1-[4-(4-nitrophenyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(2-methoxy-5-methylphenyl)-1-[4-(4-nitrophenyl)piperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(2-methoxy-5-methyl-phenyl)-1-[4-(4-nitrophenyl)piperazino]prop-2-en-1-one Formula: C21H23N3O4 MolecularWeight: 381.42502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4/c1-16-3-9-20(28-2)17(15-16)4-10-21(25)23-13-11-22(12-14-23)18-5-7-19(8-6-18)24(26)27/h3-10,15H,11-14H2,1-2H3/b10-4+