(2-azanyl-2-oxidanylidene-ethyl)-[(1S)-1-(3-nitrophenyl)butyl]azanium

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl)-[(1S)-1-(3-nitrophenyl)butyl]azanium Openeye Name: (2-amino-2-oxo-ethyl)-[(1S)-1-(3-nitrophenyl)butyl]ammonium CAS Name: (2-amino-2-oxoethyl)-[(1S)-1-(3-nitrophenyl)butyl]ammonium IUPAC Name: (2-amino-2-oxoethyl)-[(1S)-1-(3-nitrophenyl)butyl]azanium Traditional Name: (2-amino-2-keto-ethyl)-[(1S)-1-(3-nitrophenyl)butyl]ammonium Formula: C12H18N3O3+ MolecularWeight: 252.28962

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC(=CC=C1)[N+](=O)[O-])[NH2+]CC(=O)N

Isomeric SMILES

CCC[C@@H](C1=CC(=CC=C1)[N+](=O)[O-])[NH2+]CC(=O)N

InChI

InChI=1S/C12H17N3O3/c1-2-4-11(14-8-12(13)16)9-5-3-6-10(7-9)15(17)18/h3,5-7,11,14H,2,4,8H2,1H3,(H2,13,16)/p+1/t11-/m0/s1