(2S)-2-[(4-nitrophenyl)carbamoylamino]-N'-oxidanyl-N-phenyl-octanediamide

Systemtic Name: (2S)-2-[(4-nitrophenyl)carbamoylamino]-N'-oxidanyl-N-phenyl-octanediamide Openeye Name: (2S)-8-(hydroxyamino)-2-[(4-nitrophenyl)carbamoylamino]-8-oxo-N-phenyl-octanamide CAS Name: (2S)-N'-hydroxy-2-[[(4-nitroanilino)-oxomethyl]amino]-N-phenyloctanediamide IUPAC Name: (2S)-N'-hydroxy-2-[(4-nitrophenyl)carbamoylamino]-N-phenyloctanediamide Traditional Name: (2S)-8-(hydroxyamino)-8-keto-2-[(4-nitrophenyl)carbamoylamino]-N-phenyl-caprylamide Formula: C21H25N5O6 MolecularWeight: 443.4531

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)C(CCCCCC(=O)NO)NC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)[C@H](CCCCCC(=O)NO)NC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H25N5O6/c27-19(25-30)10-6-2-5-9-18(20(28)22-15-7-3-1-4-8-15)24-21(29)23-16-11-13-17(14-12-16)26(31)32/h1,3-4,7-8,11-14,18,30H,2,5-6,9-10H2,(H,22,28)(H,25,27)(H2,23,24,29)/t18-/m0/s1