[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] (E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] (E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] (E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-ethoxyphenyl)-2-propenoic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] (E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-p-phenetyl-acrylic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C21H18N2O6 MolecularWeight: 394.37742

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=C(C#N)C(=O)OCC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C(\C#N)/C(=O)OCC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C21H18N2O6/c1-3-28-18-8-5-15(6-9-18)10-17(12-22)21(25)29-13-20(24)16-7-4-14(2)19(11-16)23(26)27/h4-11H,3,13H2,1-2H3/b17-10+