[(2S)-3-(1H-imidazol-5-yl)-1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: [(2S)-3-(1H-imidazol-5-yl)-1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl]azanium Openeye Name: [(1S)-1-(1H-imidazol-5-ylmethyl)-2-(4-nitroanilino)-2-oxo-ethyl]ammonium CAS Name: [(2S)-3-(1H-imidazol-5-yl)-1-(4-nitroanilino)-1-oxopropan-2-yl]ammonium IUPAC Name: [(2S)-3-(1H-imidazol-5-yl)-1-(4-nitroanilino)-1-oxopropan-2-yl]azanium Traditional Name: [(1S)-1-(1H-imidazol-5-ylmethyl)-2-keto-2-(4-nitroanilino)ethyl]ammonium Formula: C12H14N5O3+ MolecularWeight: 276.27126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)C(CC2=CN=CN2)[NH3+])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NC(=O)[C@H](CC2=CN=CN2)[NH3+])[N+](=O)[O-]

InChI

InChI=1S/C12H13N5O3/c13-11(5-9-6-14-7-15-9)12(18)16-8-1-3-10(4-2-8)17(19)20/h1-4,6-7,11H,5,13H2,(H,14,15)(H,16,18)/p+1/t11-/m0/s1