(E)-3-(4,5-dimethoxy-2-nitro-phenyl)-1-(4-methylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(4,5-dimethoxy-2-nitro-phenyl)-1-(4-methylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(4,5-dimethoxy-2-nitro-phenyl)-1-(4-methylpiperazin-1-yl)prop-2-en-1-one CAS Name: (E)-3-(4,5-dimethoxy-2-nitrophenyl)-1-(4-methyl-1-piperazinyl)-2-propen-1-one IUPAC Name: (E)-3-(4,5-dimethoxy-2-nitrophenyl)-1-(4-methylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(4,5-dimethoxy-2-nitro-phenyl)-1-(4-methylpiperazino)prop-2-en-1-one Formula: C16H21N3O5 MolecularWeight: 335.35504

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C=CC2=CC(=C(C=C2[N+](=O)[O-])OC)OC

Isomeric SMILES

CN1CCN(CC1)C(=O)/C=C/C2=CC(=C(C=C2[N+](=O)[O-])OC)OC

InChI

InChI=1S/C16H21N3O5/c1-17-6-8-18(9-7-17)16(20)5-4-12-10-14(23-2)15(24-3)11-13(12)19(21)22/h4-5,10-11H,6-9H2,1-3H3/b5-4+