[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] 3-(4-methylphenoxy)propanoate

Systemtic Name: [2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] 3-(4-methylphenoxy)propanoate Openeye Name: [2-(2-nitroanilino)-2-oxo-ethyl] 3-(4-methylphenoxy)propanoate CAS Name: 3-(4-methylphenoxy)propanoic acid [2-(2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-nitroanilino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate Traditional Name: 3-(4-methylphenoxy)propionic acid [2-keto-2-(2-nitroanilino)ethyl] ester Formula: C18H18N2O6 MolecularWeight: 358.34532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O6/c1-13-6-8-14(9-7-13)25-11-10-18(22)26-12-17(21)19-15-4-2-3-5-16(15)20(23)24/h2-9H,10-12H2,1H3,(H,19,21)