[1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-phenoxyethanoate

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-phenoxyethanoate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] 2-phenoxyacetate CAS Name: 2-phenoxyacetic acid [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] 2-phenoxyacetate Traditional Name: 2-phenoxyacetic acid [2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C17H16N2O6 MolecularWeight: 344.31874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)COC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C17H16N2O6/c1-12(25-16(20)11-24-15-8-3-2-4-9-15)17(21)18-13-6-5-7-14(10-13)19(22)23/h2-10,12H,11H2,1H3,(H,18,21)