[1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(3,5-dimethylphenoxy)ethanoate

Systemtic Name: [1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(3,5-dimethylphenoxy)ethanoate Openeye Name: [1-methyl-2-(4-nitroanilino)-2-oxo-ethyl] 2-(3,5-dimethylphenoxy)acetate CAS Name: 2-(3,5-dimethylphenoxy)acetic acid [1-(4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-nitroanilino)-1-oxopropan-2-yl] 2-(3,5-dimethylphenoxy)acetate Traditional Name: 2-(3,5-dimethylphenoxy)acetic acid [2-keto-1-methyl-2-(4-nitroanilino)ethyl] ester Formula: C19H20N2O6 MolecularWeight: 372.3719

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC(=O)OC(C)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)OCC(=O)OC(C)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C19H20N2O6/c1-12-8-13(2)10-17(9-12)26-11-18(22)27-14(3)19(23)20-15-4-6-16(7-5-15)21(24)25/h4-10,14H,11H2,1-3H3,(H,20,23)