2-azanyl-2-(2-nitrophenyl)-3-sulfanyl-propanoic acid

Systemtic Name: 2-azanyl-2-(2-nitrophenyl)-3-sulfanyl-propanoic acid Openeye Name: 2-amino-2-(2-nitrophenyl)-3-sulfanyl-propanoic acid CAS Name: 2-amino-3-mercapto-2-(2-nitrophenyl)propanoic acid IUPAC Name: 2-amino-2-(2-nitrophenyl)-3-sulfanylpropanoic acid Traditional Name: 2-amino-3-mercapto-2-(2-nitrophenyl)propionic acid Formula: C9H10N2O4S MolecularWeight: 242.2517

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10N2O4S/c10-9(5-16,8(12)13)6-3-1-2-4-7(6)11(14)15/h1-4,16H,5,10H2,(H,12,13)