[(2S)-3-methyl-1-[(4-methyl-3-nitro-phenyl)amino]-1-oxidanylidene-butan-2-yl]azanium

Systemtic Name: [(2S)-3-methyl-1-[(4-methyl-3-nitro-phenyl)amino]-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-2-methyl-1-[(4-methyl-3-nitro-phenyl)carbamoyl]propyl]ammonium CAS Name: [(2S)-3-methyl-1-(4-methyl-3-nitroanilino)-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-3-methyl-1-(4-methyl-3-nitroanilino)-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-2-methyl-1-[(4-methyl-3-nitro-phenyl)carbamoyl]propyl]ammonium Formula: C12H18N3O3+ MolecularWeight: 252.28962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C(C)C)[NH3+])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@H](C(C)C)[NH3+])[N+](=O)[O-]

InChI

InChI=1S/C12H17N3O3/c1-7(2)11(13)12(16)14-9-5-4-8(3)10(6-9)15(17)18/h4-7,11H,13H2,1-3H3,(H,14,16)/p+1/t11-/m0/s1