[2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(4-ethanoylphenoxy)propanoate

Systemtic Name: [2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(4-ethanoylphenoxy)propanoate Openeye Name: [2-(2-methyl-6-nitro-anilino)-2-oxo-ethyl] 3-(4-acetylphenoxy)propanoate CAS Name: 3-(4-acetylphenoxy)propanoic acid [2-(2-methyl-6-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-6-nitroanilino)-2-oxoethyl] 3-(4-acetylphenoxy)propanoate Traditional Name: 3-(4-acetylphenoxy)propionic acid [2-keto-2-(2-methyl-6-nitro-anilino)ethyl] ester Formula: C20H20N2O7 MolecularWeight: 400.382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)COC(=O)CCOC2=CC=C(C=C2)C(=O)C

Isomeric SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)COC(=O)CCOC2=CC=C(C=C2)C(=O)C

InChI

InChI=1S/C20H20N2O7/c1-13-4-3-5-17(22(26)27)20(13)21-18(24)12-29-19(25)10-11-28-16-8-6-15(7-9-16)14(2)23/h3-9H,10-12H2,1-2H3,(H,21,24)