(E)-1-[4-(2-methylphenyl)piperazin-1-yl]-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-en-1-one

Systemtic Name: (E)-1-[4-(2-methylphenyl)piperazin-1-yl]-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-en-1-one Openeye Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-1-[4-(o-tolyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-1-[4-(2-methylphenyl)-1-piperazinyl]-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propen-1-one IUPAC Name: (E)-1-[4-(2-methylphenyl)piperazin-1-yl]-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-en-1-one Traditional Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-1-[4-(o-tolyl)piperazino]prop-2-en-1-one Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C(=O)C=CC3=CC4=C(C=C3[N+](=O)[O-])OCO4

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C(=O)/C=C/C3=CC4=C(C=C3[N+](=O)[O-])OCO4

InChI

InChI=1S/C21H21N3O5/c1-15-4-2-3-5-17(15)22-8-10-23(11-9-22)21(25)7-6-16-12-19-20(29-14-28-19)13-18(16)24(26)27/h2-7,12-13H,8-11,14H2,1H3/b7-6+