2-[(2,4-dinitrophenyl)amino]-3-sulfanyl-butanoic acid

Systemtic Name: 2-[(2,4-dinitrophenyl)amino]-3-sulfanyl-butanoic acid Openeye Name: 2-(2,4-dinitroanilino)-3-sulfanyl-butanoic acid CAS Name: 2-(2,4-dinitroanilino)-3-mercaptobutanoic acid IUPAC Name: 2-(2,4-dinitroanilino)-3-sulfanylbutanoic acid Traditional Name: 2-(2,4-dinitroanilino)-3-mercapto-butyric acid Formula: C10H11N3O6S MolecularWeight: 301.27584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)O)NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])S

Isomeric SMILES

CC(C(C(=O)O)NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])S

InChI

InChI=1S/C10H11N3O6S/c1-5(20)9(10(14)15)11-7-3-2-6(12(16)17)4-8(7)13(18)19/h2-5,9,11,20H,1H3,(H,14,15)