2-[nitro(phenyl)amino]-3-sulfanyl-propanoic acid

Systemtic Name: 2-[nitro(phenyl)amino]-3-sulfanyl-propanoic acid Openeye Name: 2-(N-nitroanilino)-3-sulfanyl-propanoic acid CAS Name: 3-mercapto-2-(N-nitroanilino)propanoic acid IUPAC Name: 2-(N-nitroanilino)-3-sulfanylpropanoic acid Traditional Name: 3-mercapto-2-(N-nitroanilino)propionic acid Formula: C9H10N2O4S MolecularWeight: 242.2517

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10N2O4S/c12-9(13)8(6-16)10(11(14)15)7-4-2-1-3-5-7/h1-5,8,16H,6H2,(H,12,13)