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

Systemtic Name: [2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-phenylprop-2-enoate Openeye Name: [2-(4-methyl-3-nitro-anilino)-2-oxo-ethyl] (E)-3-phenylprop-2-enoate CAS Name: (E)-3-phenyl-2-propenoic acid [2-(4-methyl-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitroanilino)-2-oxoethyl] (E)-3-phenylprop-2-enoate Traditional Name: (E)-3-phenylacrylic acid [2-keto-2-(4-methyl-3-nitro-anilino)ethyl] ester Formula: C18H16N2O5 MolecularWeight: 340.33004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O5/c1-13-7-9-15(11-16(13)20(23)24)19-17(21)12-25-18(22)10-8-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,19,21)/b10-8+