4-(2-hydroxyethyl)-5-methyl-1-(2-nitrophenyl)sulfonyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-(2-hydroxyethyl)-5-methyl-1-(2-nitrophenyl)sulfonyl-2-phenyl-pyrazol-3-one Openeye Name: 4-(2-hydroxyethyl)-5-methyl-1-(2-nitrophenyl)sulfonyl-2-phenyl-pyrazol-3-one CAS Name: 4-(2-hydroxyethyl)-5-methyl-1-(2-nitrophenyl)sulfonyl-2-phenyl-3-pyrazolone IUPAC Name: 4-(2-hydroxyethyl)-5-methyl-1-(2-nitrophenyl)sulfonyl-2-phenylpyrazol-3-one Traditional Name: 4-(2-hydroxyethyl)-5-methyl-1-(2-nitrophenyl)sulfonyl-2-phenyl-3-pyrazolin-3-one Formula: C18H17N3O6S MolecularWeight: 403.40908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C3=CC=CC=C3)CCO

Isomeric SMILES

CC1=C(C(=O)N(N1S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C3=CC=CC=C3)CCO

InChI

InChI=1S/C18H17N3O6S/c1-13-15(11-12-22)18(23)19(14-7-3-2-4-8-14)20(13)28(26,27)17-10-6-5-9-16(17)21(24)25/h2-10,22H,11-12H2,1H3