[2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (E)-2-acetamido-3-phenyl-prop-2-enoate

Systemtic Name: [2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (E)-2-acetamido-3-phenyl-prop-2-enoate Openeye Name: [2-(2-methyl-6-nitro-anilino)-2-oxo-ethyl] (E)-2-acetamido-3-phenyl-prop-2-enoate CAS Name: (E)-2-acetamido-3-phenyl-2-propenoic acid [2-(2-methyl-6-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-6-nitroanilino)-2-oxoethyl] (E)-2-acetamido-3-phenylprop-2-enoate Traditional Name: (E)-2-acetamido-3-phenyl-acrylic acid [2-keto-2-(2-methyl-6-nitro-anilino)ethyl] ester Formula: C20H19N3O6 MolecularWeight: 397.38136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)COC(=O)C(=CC2=CC=CC=C2)NC(=O)C

Isomeric SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)COC(=O)/C(=C\C2=CC=CC=C2)/NC(=O)C

InChI

InChI=1S/C20H19N3O6/c1-13-7-6-10-17(23(27)28)19(13)22-18(25)12-29-20(26)16(21-14(2)24)11-15-8-4-3-5-9-15/h3-11H,12H2,1-2H3,(H,21,24)(H,22,25)/b16-11+