[(5S)-5-acetamido-6-[(4-nitrophenyl)amino]-6-oxidanylidene-hexyl]azanium

Systemtic Name: [(5S)-5-acetamido-6-[(4-nitrophenyl)amino]-6-oxidanylidene-hexyl]azanium Openeye Name: [(5S)-5-acetamido-6-(4-nitroanilino)-6-oxo-hexyl]ammonium CAS Name: [(5S)-5-acetamido-6-(4-nitroanilino)-6-oxohexyl]ammonium IUPAC Name: [(5S)-5-acetamido-6-(4-nitroanilino)-6-oxohexyl]azanium Traditional Name: [(5S)-5-acetamido-6-keto-6-(4-nitroanilino)hexyl]ammonium Formula: C14H21N4O4+ MolecularWeight: 309.34094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N4O4/c1-10(19)16-13(4-2-3-9-15)14(20)17-11-5-7-12(8-6-11)18(21)22/h5-8,13H,2-4,9,15H2,1H3,(H,16,19)(H,17,20)/p+1/t13-/m0/s1