[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] (E)-3-(3-ethoxy-4-propoxy-phenyl)prop-2-enoate

Systemtic Name: [2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] (E)-3-(3-ethoxy-4-propoxy-phenyl)prop-2-enoate Openeye Name: [2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxo-ethyl] (E)-3-(3-ethoxy-4-propoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(3-ethoxy-4-propoxyphenyl)-2-propenoic acid [2-[4-(4-nitrophenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl] (E)-3-(3-ethoxy-4-propoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3-ethoxy-4-propoxy-phenyl)acrylic acid [2-keto-2-[4-(4-nitrophenyl)piperazino]ethyl] ester Formula: C26H31N3O7 MolecularWeight: 497.54024

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C=CC(=O)OCC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)/C=C/C(=O)OCC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])OCC

InChI

InChI=1S/C26H31N3O7/c1-3-17-35-23-11-5-20(18-24(23)34-4-2)6-12-26(31)36-19-25(30)28-15-13-27(14-16-28)21-7-9-22(10-8-21)29(32)33/h5-12,18H,3-4,13-17,19H2,1-2H3/b12-6+