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

Systemtic Name: 4-(methylamino)-2-[(2-nitrophenyl)sulfanylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-(methylamino)-2-[(2-nitrophenyl)sulfanylamino]-4-oxo-butanoic acid CAS Name: 4-(methylamino)-2-[[(2-nitrophenyl)thio]amino]-4-oxobutanoic acid IUPAC Name: 4-(methylamino)-2-[(2-nitrophenyl)sulfanylamino]-4-oxobutanoic acid Traditional Name: 4-keto-4-(methylamino)-2-[[(2-nitrophenyl)thio]amino]butyric acid Formula: C11H13N3O5S MolecularWeight: 299.30302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13N3O5S/c1-12-10(15)6-7(11(16)17)13-20-9-5-3-2-4-8(9)14(18)19/h2-5,7,13H,6H2,1H3,(H,12,15)(H,16,17)