[(2S)-1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(hydroxymethyl)benzoate

Systemtic Name: [(2S)-1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(hydroxymethyl)benzoate Openeye Name: [(1S)-1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] 4-(hydroxymethyl)benzoate CAS Name: 4-(hydroxymethyl)benzoic acid [(2S)-1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3-nitroanilino)-1-oxopropan-2-yl] 4-(hydroxymethyl)benzoate Traditional Name: 4-methylolbenzoic acid [(1S)-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)C2=CC=C(C=C2)CO

Isomeric SMILES

C[C@@H](C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=CC=C(C=C2)CO

InChI

InChI=1S/C17H16N2O6/c1-11(25-17(22)13-7-5-12(10-20)6-8-13)16(21)18-14-3-2-4-15(9-14)19(23)24/h2-9,11,20H,10H2,1H3,(H,18,21)/t11-/m0/s1