3-[(2-nitrophenyl)sulfanylamino]-4-oxidanylidene-4-(propylamino)butanoic acid

Systemtic Name: 3-[(2-nitrophenyl)sulfanylamino]-4-oxidanylidene-4-(propylamino)butanoic acid Openeye Name: 3-[(2-nitrophenyl)sulfanylamino]-4-oxo-4-(propylamino)butanoic acid CAS Name: 3-[[(2-nitrophenyl)thio]amino]-4-oxo-4-(propylamino)butanoic acid IUPAC Name: 3-[(2-nitrophenyl)sulfanylamino]-4-oxo-4-(propylamino)butanoic acid Traditional Name: 4-keto-3-[[(2-nitrophenyl)thio]amino]-4-(propylamino)butyric acid Formula: C13H17N3O5S MolecularWeight: 327.35618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O5S/c1-2-7-14-13(19)9(8-12(17)18)15-22-11-6-4-3-5-10(11)16(20)21/h3-6,9,15H,2,7-8H2,1H3,(H,14,19)(H,17,18)