3-methylsulfanyl-2-[(2-nitrophenyl)methylamino]propanoic acid

Systemtic Name: 3-methylsulfanyl-2-[(2-nitrophenyl)methylamino]propanoic acid Openeye Name: 3-methylsulfanyl-2-[(2-nitrophenyl)methylamino]propanoic acid CAS Name: 3-(methylthio)-2-[(2-nitrophenyl)methylamino]propanoic acid IUPAC Name: 3-methylsulfanyl-2-[(2-nitrophenyl)methylamino]propanoic acid Traditional Name: 3-(methylthio)-2-[(2-nitrobenzyl)amino]propionic acid Formula: C11H14N2O4S MolecularWeight: 270.30486

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Descriptors Computed from Structure

Canonical SMILES:

CSCC(C(=O)O)NCC1=CC=CC=C1[N+](=O)[O-]

Isomeric SMILES

CSCC(C(=O)O)NCC1=CC=CC=C1[N+](=O)[O-]

InChI

InChI=1S/C11H14N2O4S/c1-18-7-9(11(14)15)12-6-8-4-2-3-5-10(8)13(16)17/h2-5,9,12H,6-7H2,1H3,(H,14,15)