2-[(4-nitrophenyl)methylamino]-3-sulfanyl-propanoic acid

Systemtic Name: 2-[(4-nitrophenyl)methylamino]-3-sulfanyl-propanoic acid Openeye Name: 2-[(4-nitrophenyl)methylamino]-3-sulfanyl-propanoic acid CAS Name: 3-mercapto-2-[(4-nitrophenyl)methylamino]propanoic acid IUPAC Name: 2-[(4-nitrophenyl)methylamino]-3-sulfanylpropanoic acid Traditional Name: 3-mercapto-2-[(4-nitrobenzyl)amino]propionic acid Formula: C10H12N2O4S MolecularWeight: 256.27828

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(CS)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CNC(CS)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C10H12N2O4S/c13-10(14)9(6-17)11-5-7-1-3-8(4-2-7)12(15)16/h1-4,9,11,17H,5-6H2,(H,13,14)