(E)-3-(3-chloranyl-5-ethoxy-4-methoxy-phenyl)-1-[4-(6-nitropyridin-3-yl)piperazin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(3-chloranyl-5-ethoxy-4-methoxy-phenyl)-1-[4-(6-nitropyridin-3-yl)piperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(3-chloro-5-ethoxy-4-methoxy-phenyl)-1-[4-(6-nitro-3-pyridyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-1-[4-(6-nitro-3-pyridinyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-1-[4-(6-nitropyridin-3-yl)piperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(3-chloro-5-ethoxy-4-methoxy-phenyl)-1-[4-(6-nitro-3-pyridyl)piperazino]prop-2-en-1-one Formula: C21H23ClN4O5 MolecularWeight: 446.88412

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=CC(=O)N2CCN(CC2)C3=CN=C(C=C3)[N+](=O)[O-])Cl)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C/C(=O)N2CCN(CC2)C3=CN=C(C=C3)[N+](=O)[O-])Cl)OC

InChI

InChI=1S/C21H23ClN4O5/c1-3-31-18-13-15(12-17(22)21(18)30-2)4-7-20(27)25-10-8-24(9-11-25)16-5-6-19(23-14-16)26(28)29/h4-7,12-14H,3,8-11H2,1-2H3/b7-4+