2-(4-chloranyl-3-nitro-phenyl)-4-(2-hydroxyphenyl)carbonyl-5-methyl-1H-pyrazol-3-one

Systemtic Name: 2-(4-chloranyl-3-nitro-phenyl)-4-(2-hydroxyphenyl)carbonyl-5-methyl-1H-pyrazol-3-one Openeye Name: 2-(4-chloro-3-nitro-phenyl)-4-(2-hydroxybenzoyl)-5-methyl-1H-pyrazol-3-one CAS Name: 2-(4-chloro-3-nitrophenyl)-4-[(2-hydroxyphenyl)-oxomethyl]-5-methyl-1H-pyrazol-3-one IUPAC Name: 2-(4-chloro-3-nitrophenyl)-4-(2-hydroxybenzoyl)-5-methyl-1H-pyrazol-3-one Traditional Name: 2-(4-chloro-3-nitro-phenyl)-5-methyl-4-salicyloyl-3-pyrazolin-3-one Formula: C17H12ClN3O5 MolecularWeight: 373.74728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)C3=CC=CC=C3O

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)C3=CC=CC=C3O

InChI

InChI=1S/C17H12ClN3O5/c1-9-15(16(23)11-4-2-3-5-14(11)22)17(24)20(19-9)10-6-7-12(18)13(8-10)21(25)26/h2-8,19,22H,1H3