(2-nitrophenyl)methyl 2-azanyl-3-sulfanyl-propanoate

Systemtic Name: (2-nitrophenyl)methyl 2-azanyl-3-sulfanyl-propanoate Openeye Name: (2-nitrophenyl)methyl 2-amino-3-sulfanyl-propanoate CAS Name: 2-amino-3-mercaptopropanoic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl 2-amino-3-sulfanylpropanoate Traditional Name: 2-amino-3-mercapto-propionic acid (2-nitrobenzyl) ester Formula: C10H12N2O4S MolecularWeight: 256.27828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12N2O4S/c11-8(6-17)10(13)16-5-7-3-1-2-4-9(7)12(14)15/h1-4,8,17H,5-6,11H2