[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(2-methylphenoxy)propanoate

Systemtic Name: [2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(2-methylphenoxy)propanoate Openeye Name: [2-(2-methyl-5-nitro-anilino)-2-oxo-ethyl] 3-(2-methylphenoxy)propanoate CAS Name: 3-(2-methylphenoxy)propanoic acid [2-(2-methyl-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-5-nitroanilino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate Traditional Name: 3-(2-methylphenoxy)propionic acid [2-keto-2-(2-methyl-5-nitro-anilino)ethyl] ester Formula: C19H20N2O6 MolecularWeight: 372.3719

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)CCOC2=CC=CC=C2C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)CCOC2=CC=CC=C2C

InChI

InChI=1S/C19H20N2O6/c1-13-7-8-15(21(24)25)11-16(13)20-18(22)12-27-19(23)9-10-26-17-6-4-3-5-14(17)2/h3-8,11H,9-10,12H2,1-2H3,(H,20,22)