2-azanyl-5-(5-methyl-2-nitro-phenyl)sulfanyloxy-pentanoic acid

Systemtic Name: 2-azanyl-5-(5-methyl-2-nitro-phenyl)sulfanyloxy-pentanoic acid Openeye Name: 2-amino-5-(5-methyl-2-nitro-phenyl)sulfanyloxy-pentanoic acid CAS Name: 2-amino-5-[(5-methyl-2-nitrophenyl)thio]oxypentanoic acid IUPAC Name: 2-amino-5-(5-methyl-2-nitrophenyl)sulfanyloxypentanoic acid Traditional Name: 2-amino-5-[(5-methyl-2-nitro-phenyl)thio]oxy-valeric acid Formula: C12H16N2O5S MolecularWeight: 300.33084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)[N+](=O)[O-])SOCCCC(C(=O)O)N

Isomeric SMILES

CC1=CC(=C(C=C1)[N+](=O)[O-])SOCCCC(C(=O)O)N

InChI

InChI=1S/C12H16N2O5S/c1-8-4-5-10(14(17)18)11(7-8)20-19-6-2-3-9(13)12(15)16/h4-5,7,9H,2-3,6,13H2,1H3,(H,15,16)