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

Systemtic Name: [(2S)-1-[(4-methyl-3-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]azanium Openeye Name: [(1S)-1-methyl-2-(4-methyl-3-nitro-anilino)-2-oxo-ethyl]ammonium CAS Name: [(2S)-1-(4-methyl-3-nitroanilino)-1-oxopropan-2-yl]ammonium IUPAC Name: [(2S)-1-(4-methyl-3-nitroanilino)-1-oxopropan-2-yl]azanium Traditional Name: [(1S)-2-keto-1-methyl-2-(4-methyl-3-nitro-anilino)ethyl]ammonium Formula: C10H14N3O3+ MolecularWeight: 224.23646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H13N3O3/c1-6-3-4-8(5-9(6)13(15)16)12-10(14)7(2)11/h3-5,7H,11H2,1-2H3,(H,12,14)/p+1/t7-/m0/s1