ethyl (2R)-2-[(4-bromanyl-3-nitro-1H-pyrazol-5-yl)carbonylamino]-3-sulfanyl-propanoate

Systemtic Name: ethyl (2R)-2-[(4-bromanyl-3-nitro-1H-pyrazol-5-yl)carbonylamino]-3-sulfanyl-propanoate Openeye Name: ethyl (2R)-2-[(4-bromo-3-nitro-1H-pyrazole-5-carbonyl)amino]-3-sulfanyl-propanoate CAS Name: (2R)-2-[[(4-bromo-3-nitro-1H-pyrazol-5-yl)-oxomethyl]amino]-3-mercaptopropanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[(4-bromo-3-nitro-1H-pyrazole-5-carbonyl)amino]-3-sulfanylpropanoate Traditional Name: (2R)-2-[(4-bromo-3-nitro-1H-pyrazole-5-carbonyl)amino]-3-mercapto-propionic acid ethyl ester Formula: C9H11BrN4O5S MolecularWeight: 367.17644

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CS)NC(=O)C1=C(C(=NN1)[N+](=O)[O-])Br

Isomeric SMILES

CCOC(=O)[C@H](CS)NC(=O)C1=C(C(=NN1)[N+](=O)[O-])Br

InChI

InChI=1S/C9H11BrN4O5S/c1-2-19-9(16)4(3-20)11-8(15)6-5(10)7(13-12-6)14(17)18/h4,20H,2-3H2,1H3,(H,11,15)(H,12,13)/t4-/m0/s1