[(2S,3S)-3-methyl-1-[(4-nitrophenyl)amino]-1-oxidanylidene-pentan-2-yl]azanium

Systemtic Name: [(2S,3S)-3-methyl-1-[(4-nitrophenyl)amino]-1-oxidanylidene-pentan-2-yl]azanium Openeye Name: [(1S,2S)-2-methyl-1-[(4-nitrophenyl)carbamoyl]butyl]ammonium CAS Name: [(2S,3S)-3-methyl-1-(4-nitroanilino)-1-oxopentan-2-yl]ammonium IUPAC Name: [(2S,3S)-3-methyl-1-(4-nitroanilino)-1-oxopentan-2-yl]azanium Traditional Name: [(1S,2S)-2-methyl-1-[(4-nitrophenyl)carbamoyl]butyl]ammonium Formula: C12H18N3O3+ MolecularWeight: 252.28962

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])[NH3+]

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])[NH3+]

InChI

InChI=1S/C12H17N3O3/c1-3-8(2)11(13)12(16)14-9-4-6-10(7-5-9)15(17)18/h4-8,11H,3,13H2,1-2H3,(H,14,16)/p+1/t8-,11-/m0/s1