N-[(2,5-dimethoxyphenyl)methyl]-5-nitro-4-phenoxy-1H-indazol-3-amine hydrochloride

Systemtic Name: N-[(2,5-dimethoxyphenyl)methyl]-5-nitro-4-phenoxy-1H-indazol-3-amine hydrochloride Openeye Name: N-[(2,5-dimethoxyphenyl)methyl]-5-nitro-4-phenoxy-1H-indazol-3-amine hydrochloride CAS Name: N-[(2,5-dimethoxyphenyl)methyl]-5-nitro-4-phenoxy-1H-indazol-3-amine hydrochloride IUPAC Name: N-[(2,5-dimethoxyphenyl)methyl]-5-nitro-4-phenoxy-1H-indazol-3-amine hydrochloride Traditional Name: (2,5-dimethoxybenzyl)-(5-nitro-4-phenoxy-1H-indazol-3-yl)amine hydrochloride Formula: C22H21ClN4O5 MolecularWeight: 456.87894

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CNC2=NNC3=C2C(=C(C=C3)[N+](=O)[O-])OC4=CC=CC=C4.Cl

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CNC2=NNC3=C2C(=C(C=C3)[N+](=O)[O-])OC4=CC=CC=C4.Cl

InChI

InChI=1S/C22H20N4O5.ClH/c1-29-16-8-11-19(30-2)14(12-16)13-23-22-20-17(24-25-22)9-10-18(26(27)28)21(20)31-15-6-4-3-5-7-15;/h3-12H,13H2,1-2H3,(H2,23,24,25);1H