7-[[bis(2-hydroxyethyl)amino]methyl]-1-(4-methoxyphenyl)-2-methyl-3-nitro-indol-6-ol hydrochloride

Systemtic Name: 7-[[bis(2-hydroxyethyl)amino]methyl]-1-(4-methoxyphenyl)-2-methyl-3-nitro-indol-6-ol hydrochloride Openeye Name: 7-[[bis(2-hydroxyethyl)amino]methyl]-1-(4-methoxyphenyl)-2-methyl-3-nitro-indol-6-ol hydrochloride CAS Name: 7-[[bis(2-hydroxyethyl)amino]methyl]-1-(4-methoxyphenyl)-2-methyl-3-nitro-6-indolol hydrochloride IUPAC Name: 7-[[bis(2-hydroxyethyl)amino]methyl]-1-(4-methoxyphenyl)-2-methyl-3-nitroindol-6-ol hydrochloride Traditional Name: 7-[[bis(2-hydroxyethyl)amino]methyl]-1-(4-methoxyphenyl)-2-methyl-3-nitro-indol-6-ol hydrochloride Formula: C21H26ClN3O6 MolecularWeight: 451.90064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C3=CC=C(C=C3)OC)C(=C(C=C2)O)CN(CCO)CCO)[N+](=O)[O-].Cl

Isomeric SMILES

CC1=C(C2=C(N1C3=CC=C(C=C3)OC)C(=C(C=C2)O)CN(CCO)CCO)[N+](=O)[O-].Cl

InChI

InChI=1S/C21H25N3O6.ClH/c1-14-20(24(28)29)17-7-8-19(27)18(13-22(9-11-25)10-12-26)21(17)23(14)15-3-5-16(30-2)6-4-15;/h3-8,25-27H,9-13H2,1-2H3;1H