[(2R)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate

Systemtic Name: [(2R)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate Openeye Name: [(1R)-1-methyl-2-(2-nitroanilino)-2-oxo-ethyl] (E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-ethoxyphenyl)-2-propenoic acid [(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] (E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-p-phenetyl-acrylic acid [(1R)-2-keto-1-methyl-2-(2-nitroanilino)ethyl] ester Formula: C21H19N3O6 MolecularWeight: 409.39206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C(\C#N)/C(=O)O[C@H](C)C(=O)NC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O6/c1-3-29-17-10-8-15(9-11-17)12-16(13-22)21(26)30-14(2)20(25)23-18-6-4-5-7-19(18)24(27)28/h4-12,14H,3H2,1-2H3,(H,23,25)/b16-12+/t14-/m1/s1