4-(butylamino)-2-[(2-nitrophenyl)sulfanylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(butylamino)-2-[(2-nitrophenyl)sulfanylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-(butylamino)-2-[(2-nitrophenyl)sulfanylamino]-4-oxo-butanoic acid CAS Name: 4-(butylamino)-2-[[(2-nitrophenyl)thio]amino]-4-oxobutanoic acid IUPAC Name: 4-(butylamino)-2-[(2-nitrophenyl)sulfanylamino]-4-oxobutanoic acid Traditional Name: 4-(butylamino)-4-keto-2-[[(2-nitrophenyl)thio]amino]butyric acid Formula: C14H19N3O5S MolecularWeight: 341.38276

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CC(C(=O)O)NSC1=CC=CC=C1[N+](=O)[O-]

Isomeric SMILES

CCCCNC(=O)CC(C(=O)O)NSC1=CC=CC=C1[N+](=O)[O-]

InChI

InChI=1S/C14H19N3O5S/c1-2-3-8-15-13(18)9-10(14(19)20)16-23-12-7-5-4-6-11(12)17(21)22/h4-7,10,16H,2-3,8-9H2,1H3,(H,15,18)(H,19,20)