[2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(4-ethanoylphenoxy)ethanoate

Systemtic Name: [2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(4-ethanoylphenoxy)ethanoate Openeye Name: [2-(4,5-dimethyl-2-nitro-anilino)-2-oxo-ethyl] 2-(4-acetylphenoxy)acetate CAS Name: 2-(4-acetylphenoxy)acetic acid [2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] 2-(4-acetylphenoxy)acetate Traditional Name: 2-(4-acetylphenoxy)acetic acid [2-(4,5-dimethyl-2-nitro-anilino)-2-keto-ethyl] ester Formula: C20H20N2O7 MolecularWeight: 400.382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)COC(=O)COC2=CC=C(C=C2)C(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)COC(=O)COC2=CC=C(C=C2)C(=O)C

InChI

InChI=1S/C20H20N2O7/c1-12-8-17(18(22(26)27)9-13(12)2)21-19(24)10-29-20(25)11-28-16-6-4-15(5-7-16)14(3)23/h4-9H,10-11H2,1-3H3,(H,21,24)