(E)-3-(2,4-dimethoxyphenyl)-1-[4-(6-nitropyridin-3-yl)piperazin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(2,4-dimethoxyphenyl)-1-[4-(6-nitropyridin-3-yl)piperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(2,4-dimethoxyphenyl)-1-[4-(6-nitro-3-pyridyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(2,4-dimethoxyphenyl)-1-[4-(6-nitro-3-pyridinyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(2,4-dimethoxyphenyl)-1-[4-(6-nitropyridin-3-yl)piperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(2,4-dimethoxyphenyl)-1-[4-(6-nitro-3-pyridyl)piperazino]prop-2-en-1-one Formula: C20H22N4O5 MolecularWeight: 398.41248

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C=CC(=O)N2CCN(CC2)C3=CN=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC(=C(C=C1)/C=C/C(=O)N2CCN(CC2)C3=CN=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C20H22N4O5/c1-28-17-6-3-15(18(13-17)29-2)4-8-20(25)23-11-9-22(10-12-23)16-5-7-19(21-14-16)24(26)27/h3-8,13-14H,9-12H2,1-2H3/b8-4+