2-[(4-bromanyl-3-nitro-phenyl)carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[(4-bromanyl-3-nitro-phenyl)carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[(4-bromo-3-nitro-benzoyl)amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[(4-bromo-3-nitrophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[(4-bromo-3-nitrobenzoyl)amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[(4-bromo-3-nitro-benzoyl)amino]-4-(methylthio)butyric acid Formula: C12H13BrN2O5S MolecularWeight: 377.21102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13BrN2O5S/c1-21-5-4-9(12(17)18)14-11(16)7-2-3-8(13)10(6-7)15(19)20/h2-3,6,9H,4-5H2,1H3,(H,14,16)(H,17,18)