3-[2,4-bis(oxidanyl)phenyl]-1-butyl-2H-indazol-6-one

Systemtic Name: 3-[2,4-bis(oxidanyl)phenyl]-1-butyl-2H-indazol-6-one Openeye Name: 1-butyl-3-(2,4-dihydroxyphenyl)-2H-indazol-6-one CAS Name: 1-butyl-3-(2,4-dihydroxyphenyl)-2H-indazol-6-one IUPAC Name: 1-butyl-3-(2,4-dihydroxyphenyl)-2H-indazol-6-one Traditional Name: 1-butyl-3-(2,4-dihydroxyphenyl)-2H-indazol-6-one Formula: C17H18N2O3 MolecularWeight: 298.33642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC(=O)C=CC2=C(N1)C3=C(C=C(C=C3)O)O

Isomeric SMILES

CCCCN1C2=CC(=O)C=CC2=C(N1)C3=C(C=C(C=C3)O)O

InChI

InChI=1S/C17H18N2O3/c1-2-3-8-19-15-9-11(20)4-6-13(15)17(18-19)14-7-5-12(21)10-16(14)22/h4-7,9-10,18,21-22H,2-3,8H2,1H3