methyl-[(2R)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl]-(phenylmethyl)azanium

Systemtic Name: methyl-[(2R)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl]-(phenylmethyl)azanium Openeye Name: benzyl-methyl-[(1R)-1-methyl-2-(2-nitroanilino)-2-oxo-ethyl]ammonium CAS Name: methyl-[(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl]azanium Traditional Name: benzyl-[(1R)-2-keto-1-methyl-2-(2-nitroanilino)ethyl]-methyl-ammonium Formula: C17H20N3O3+ MolecularWeight: 314.359

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])[NH+](C)CC2=CC=CC=C2

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1[N+](=O)[O-])[NH+](C)CC2=CC=CC=C2

InChI

InChI=1S/C17H19N3O3/c1-13(19(2)12-14-8-4-3-5-9-14)17(21)18-15-10-6-7-11-16(15)20(22)23/h3-11,13H,12H2,1-2H3,(H,18,21)/p+1/t13-/m1/s1