5-nitro-1-[(4-phenylmethoxyphenyl)methyl]-2H-indazol-3-one

Systemtic Name: 5-nitro-1-[(4-phenylmethoxyphenyl)methyl]-2H-indazol-3-one Openeye Name: 1-[(4-benzyloxyphenyl)methyl]-5-nitro-2H-indazol-3-one CAS Name: 5-nitro-1-[(4-phenylmethoxyphenyl)methyl]-2H-indazol-3-one IUPAC Name: 5-nitro-1-[(4-phenylmethoxyphenyl)methyl]-2H-indazol-3-one Traditional Name: 1-(4-benzoxybenzyl)-5-nitro-indazolin-3-one Formula: C21H17N3O4 MolecularWeight: 375.37738

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)CN3C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)CN3C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3

InChI

InChI=1S/C21H17N3O4/c25-21-19-12-17(24(26)27)8-11-20(19)23(22-21)13-15-6-9-18(10-7-15)28-14-16-4-2-1-3-5-16/h1-12H,13-14H2,(H,22,25)