methyl-[(2S)-1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl]-[(2-nitrophenyl)methyl]azanium

Systemtic Name: methyl-[(2S)-1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl]-[(2-nitrophenyl)methyl]azanium Openeye Name: methyl-[(1S)-1-methyl-2-(methylcarbamoylamino)-2-oxo-ethyl]-[(2-nitrophenyl)methyl]ammonium CAS Name: methyl-[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]-[(2-nitrophenyl)methyl]ammonium IUPAC Name: methyl-[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]-[(2-nitrophenyl)methyl]azanium Traditional Name: [(1S)-2-keto-1-methyl-2-(methylcarbamoylamino)ethyl]-methyl-(2-nitrobenzyl)ammonium Formula: C13H19N4O4+ MolecularWeight: 295.31436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N4O4/c1-9(12(18)15-13(19)14-2)16(3)8-10-6-4-5-7-11(10)17(20)21/h4-7,9H,8H2,1-3H3,(H2,14,15,18,19)/p+1/t9-/m0/s1