butyl-[(2R)-1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: butyl-[(2R)-1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl]azanium Openeye Name: butyl-[(1R)-1-methyl-2-(3-nitroanilino)-2-oxo-ethyl]ammonium CAS Name: butyl-[(2R)-1-(3-nitroanilino)-1-oxopropan-2-yl]ammonium IUPAC Name: butyl-[(2R)-1-(3-nitroanilino)-1-oxopropan-2-yl]azanium Traditional Name: butyl-[(1R)-2-keto-1-methyl-2-(3-nitroanilino)ethyl]ammonium Formula: C13H20N3O3+ MolecularWeight: 266.3162

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH2+]C(C)C(=O)NC1=CC(=CC=C1)[N+](=O)[O-]

Isomeric SMILES

CCCC[NH2+][C@H](C)C(=O)NC1=CC(=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C13H19N3O3/c1-3-4-8-14-10(2)13(17)15-11-6-5-7-12(9-11)16(18)19/h5-7,9-10,14H,3-4,8H2,1-2H3,(H,15,17)/p+1/t10-/m1/s1