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

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(2,5-dimethylphenoxy)propanoate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] 3-(2,5-dimethylphenoxy)propanoate CAS Name: 3-(2,5-dimethylphenoxy)propanoic acid [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] 3-(2,5-dimethylphenoxy)propanoate Traditional Name: 3-(2,5-dimethylphenoxy)propionic acid [2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C20H22N2O6 MolecularWeight: 386.39848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O6/c1-13-7-8-14(2)18(11-13)27-10-9-19(23)28-15(3)20(24)21-16-5-4-6-17(12-16)22(25)26/h4-8,11-12,15H,9-10H2,1-3H3,(H,21,24)