2-azanyl-4-[(2-nitrophenyl)methylsulfanyl]butanoic acid

Systemtic Name: 2-azanyl-4-[(2-nitrophenyl)methylsulfanyl]butanoic acid Openeye Name: 2-amino-4-[(2-nitrophenyl)methylsulfanyl]butanoic acid CAS Name: 2-amino-4-[(2-nitrophenyl)methylthio]butanoic acid IUPAC Name: 2-amino-4-[(2-nitrophenyl)methylsulfanyl]butanoic acid Traditional Name: 2-amino-4-[(2-nitrobenzyl)thio]butyric acid Formula: C11H14N2O4S MolecularWeight: 270.30486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14N2O4S/c12-9(11(14)15)5-6-18-7-8-3-1-2-4-10(8)13(16)17/h1-4,9H,5-7,12H2,(H,14,15)