[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(4-ethoxyphenyl)prop-2-enoate

Systemtic Name: [2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(4-ethoxyphenyl)prop-2-enoate Openeye Name: [2-(2-methyl-5-nitro-anilino)-2-oxo-ethyl] (E)-3-(4-ethoxyphenyl)prop-2-enoate CAS Name: (E)-3-(4-ethoxyphenyl)-2-propenoic acid [2-(2-methyl-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-5-nitroanilino)-2-oxoethyl] (E)-3-(4-ethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-p-phenetylacrylic acid [2-keto-2-(2-methyl-5-nitro-anilino)ethyl] ester Formula: C20H20N2O6 MolecularWeight: 384.3826

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=CC(=O)OCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])C

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C/C(=O)OCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])C

InChI

InChI=1S/C20H20N2O6/c1-3-27-17-9-5-15(6-10-17)7-11-20(24)28-13-19(23)21-18-12-16(22(25)26)8-4-14(18)2/h4-12H,3,13H2,1-2H3,(H,21,23)/b11-7+