2-(4-carbamimidoylphenyl)-3-[(5-nitro-2-oxidanyl-phenyl)methyl]-1H-indole-6-carboximidamide

Systemtic Name: 2-(4-carbamimidoylphenyl)-3-[(5-nitro-2-oxidanyl-phenyl)methyl]-1H-indole-6-carboximidamide Openeye Name: 2-(4-carbamimidoylphenyl)-3-[(2-hydroxy-5-nitro-phenyl)methyl]-1H-indole-6-carboxamidine CAS Name: 2-(4-carbamimidoylphenyl)-3-[(2-hydroxy-5-nitrophenyl)methyl]-1H-indole-6-carboximidamide IUPAC Name: 2-(4-carbamimidoylphenyl)-3-[(2-hydroxy-5-nitrophenyl)methyl]-1H-indole-6-carboximidamide Traditional Name: 2-(4-amidinophenyl)-3-(2-hydroxy-5-nitro-benzyl)-1H-indole-6-carboxamidine Formula: C23H20N6O3 MolecularWeight: 428.4433

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(C3=C(N2)C=C(C=C3)C(=N)N)CC4=C(C=CC(=C4)[N+](=O)[O-])O)C(=N)N

Isomeric SMILES

C1=CC(=CC=C1C2=C(C3=C(N2)C=C(C=C3)C(=N)N)CC4=C(C=CC(=C4)[N+](=O)[O-])O)C(=N)N

InChI

InChI=1S/C23H20N6O3/c24-22(25)13-3-1-12(2-4-13)21-18(10-15-9-16(29(31)32)6-8-20(15)30)17-7-5-14(23(26)27)11-19(17)28-21/h1-9,11,28,30H,10H2,(H3,24,25)(H3,26,27)