3-(4-bromanyl-3-nitro-pyrazol-1-yl)-N-(5-ethylsulfonyl-2-oxidanyl-phenyl)propanamide

Systemtic Name: 3-(4-bromanyl-3-nitro-pyrazol-1-yl)-N-(5-ethylsulfonyl-2-oxidanyl-phenyl)propanamide Openeye Name: 3-(4-bromo-3-nitro-pyrazol-1-yl)-N-(5-ethylsulfonyl-2-hydroxy-phenyl)propanamide CAS Name: 3-(4-bromo-3-nitro-1-pyrazolyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)propanamide IUPAC Name: 3-(4-bromo-3-nitropyrazol-1-yl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)propanamide Traditional Name: 3-(4-bromo-3-nitro-pyrazol-1-yl)-N-(5-esyl-2-hydroxy-phenyl)propionamide Formula: C14H15BrN4O6S MolecularWeight: 447.2611

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC(=C(C=C1)O)NC(=O)CCN2C=C(C(=N2)[N+](=O)[O-])Br

Isomeric SMILES

CCS(=O)(=O)C1=CC(=C(C=C1)O)NC(=O)CCN2C=C(C(=N2)[N+](=O)[O-])Br

InChI

InChI=1S/C14H15BrN4O6S/c1-2-26(24,25)9-3-4-12(20)11(7-9)16-13(21)5-6-18-8-10(15)14(17-18)19(22)23/h3-4,7-8,20H,2,5-6H2,1H3,(H,16,21)