(5-methyl-2-oxidanyl-phenyl)-[1-(3-nitrophenyl)sulfonylpyrazol-4-yl]methanone

Systemtic Name: (5-methyl-2-oxidanyl-phenyl)-[1-(3-nitrophenyl)sulfonylpyrazol-4-yl]methanone Openeye Name: (2-hydroxy-5-methyl-phenyl)-[1-(3-nitrophenyl)sulfonylpyrazol-4-yl]methanone CAS Name: (2-hydroxy-5-methylphenyl)-[1-(3-nitrophenyl)sulfonyl-4-pyrazolyl]methanone IUPAC Name: (2-hydroxy-5-methylphenyl)-[1-(3-nitrophenyl)sulfonylpyrazol-4-yl]methanone Traditional Name: (2-hydroxy-5-methyl-phenyl)-[1-(3-nitrophenyl)sulfonylpyrazol-4-yl]methanone Formula: C17H13N3O6S MolecularWeight: 387.36662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)C(=O)C2=CN(N=C2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)O)C(=O)C2=CN(N=C2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O6S/c1-11-5-6-16(21)15(7-11)17(22)12-9-18-19(10-12)27(25,26)14-4-2-3-13(8-14)20(23)24/h2-10,21H,1H3