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

Systemtic Name: 2-[(3,4-dinitrophenyl)amino]-3-sulfanyl-propanoic acid Openeye Name: 2-(3,4-dinitroanilino)-3-sulfanyl-propanoic acid CAS Name: 2-(3,4-dinitroanilino)-3-mercaptopropanoic acid IUPAC Name: 2-(3,4-dinitroanilino)-3-sulfanylpropanoic acid Traditional Name: 2-(3,4-dinitroanilino)-3-mercapto-propionic acid Formula: C9H9N3O6S MolecularWeight: 287.24926

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(CS)C(=O)O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1NC(CS)C(=O)O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C9H9N3O6S/c13-9(14)6(4-19)10-5-1-2-7(11(15)16)8(3-5)12(17)18/h1-3,6,10,19H,4H2,(H,13,14)