4-bromanyl-N-[3-(4-chlorophenyl)sulfonyl-5-methoxy-phenyl]-3-nitro-1H-pyrazole-5-carboxamide

Systemtic Name: 4-bromanyl-N-[3-(4-chlorophenyl)sulfonyl-5-methoxy-phenyl]-3-nitro-1H-pyrazole-5-carboxamide Openeye Name: 4-bromo-N-[3-(4-chlorophenyl)sulfonyl-5-methoxy-phenyl]-3-nitro-1H-pyrazole-5-carboxamide CAS Name: 4-bromo-N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-3-nitro-1H-pyrazole-5-carboxamide IUPAC Name: 4-bromo-N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-3-nitro-1H-pyrazole-5-carboxamide Traditional Name: 4-bromo-N-[3-(4-chlorophenyl)sulfonyl-5-methoxy-phenyl]-3-nitro-1H-pyrazole-5-carboxamide Formula: C17H12BrClN4O6S MolecularWeight: 515.72238

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=O)C2=C(C(=NN2)[N+](=O)[O-])Br)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=O)C2=C(C(=NN2)[N+](=O)[O-])Br)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H12BrClN4O6S/c1-29-11-6-10(20-17(24)15-14(18)16(22-21-15)23(25)26)7-13(8-11)30(27,28)12-4-2-9(19)3-5-12/h2-8H,1H3,(H,20,24)(H,21,22)