1-(3,6-dinitrocarbazol-9-yl)-3-[(2-methylphenyl)amino]propan-2-ol

Systemtic Name: 1-(3,6-dinitrocarbazol-9-yl)-3-[(2-methylphenyl)amino]propan-2-ol Openeye Name: 1-(3,6-dinitrocarbazol-9-yl)-3-(2-methylanilino)propan-2-ol CAS Name: 1-(3,6-dinitro-9-carbazolyl)-3-(2-methylanilino)-2-propanol IUPAC Name: 1-(3,6-dinitrocarbazol-9-yl)-3-(2-methylanilino)propan-2-ol Traditional Name: 1-(3,6-dinitrocarbazol-9-yl)-3-(o-toluidino)propan-2-ol Formula: C22H20N4O5 MolecularWeight: 420.418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NCC(CN2C3=C(C=C(C=C3)[N+](=O)[O-])C4=C2C=CC(=C4)[N+](=O)[O-])O

Isomeric SMILES

CC1=CC=CC=C1NCC(CN2C3=C(C=C(C=C3)[N+](=O)[O-])C4=C2C=CC(=C4)[N+](=O)[O-])O

InChI

InChI=1S/C22H20N4O5/c1-14-4-2-3-5-20(14)23-12-17(27)13-24-21-8-6-15(25(28)29)10-18(21)19-11-16(26(30)31)7-9-22(19)24/h2-11,17,23,27H,12-13H2,1H3