[1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-phenylpropanoate

Systemtic Name: [1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-phenylpropanoate Openeye Name: [1-methyl-2-(4-nitroanilino)-2-oxo-ethyl] 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid [1-(4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-nitroanilino)-1-oxopropan-2-yl] 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid [2-keto-1-methyl-2-(4-nitroanilino)ethyl] ester Formula: C18H18N2O5 MolecularWeight: 342.34592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])OC(=O)CCC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])OC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C18H18N2O5/c1-13(25-17(21)12-7-14-5-3-2-4-6-14)18(22)19-15-8-10-16(11-9-15)20(23)24/h2-6,8-11,13H,7,12H2,1H3,(H,19,22)