5-nitro-1-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]-2H-indazol-3-one

Systemtic Name: 5-nitro-1-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]-2H-indazol-3-one Openeye Name: 5-nitro-1-[[4-(2-quinolylmethoxy)phenyl]methyl]-2H-indazol-3-one CAS Name: 5-nitro-1-[[4-(2-quinolinylmethoxy)phenyl]methyl]-2H-indazol-3-one IUPAC Name: 5-nitro-1-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]-2H-indazol-3-one Traditional Name: 5-nitro-1-[4-(2-quinolylmethoxy)benzyl]indazolin-3-one Formula: C24H18N4O4 MolecularWeight: 426.42412

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)COC3=CC=C(C=C3)CN4C5=C(C=C(C=C5)[N+](=O)[O-])C(=O)N4

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)COC3=CC=C(C=C3)CN4C5=C(C=C(C=C5)[N+](=O)[O-])C(=O)N4

InChI

InChI=1S/C24H18N4O4/c29-24-21-13-19(28(30)31)9-12-23(21)27(26-24)14-16-5-10-20(11-6-16)32-15-18-8-7-17-3-1-2-4-22(17)25-18/h1-13H,14-15H2,(H,26,29)