1-(2-methyl-5-nitro-imidazol-1-yl)-3-[(4-methylphenyl)amino]propan-2-ol

Systemtic Name: 1-(2-methyl-5-nitro-imidazol-1-yl)-3-[(4-methylphenyl)amino]propan-2-ol Openeye Name: 1-(4-methylanilino)-3-(2-methyl-5-nitro-imidazol-1-yl)propan-2-ol CAS Name: 1-(4-methylanilino)-3-(2-methyl-5-nitro-1-imidazolyl)-2-propanol IUPAC Name: 1-(4-methylanilino)-3-(2-methyl-5-nitroimidazol-1-yl)propan-2-ol Traditional Name: 1-(2-methyl-5-nitro-imidazol-1-yl)-3-(p-toluidino)propan-2-ol Formula: C14H18N4O3 MolecularWeight: 290.31772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NCC(CN2C(=NC=C2[N+](=O)[O-])C)O

Isomeric SMILES

CC1=CC=C(C=C1)NCC(CN2C(=NC=C2[N+](=O)[O-])C)O

InChI

InChI=1S/C14H18N4O3/c1-10-3-5-12(6-4-10)16-7-13(19)9-17-11(2)15-8-14(17)18(20)21/h3-6,8,13,16,19H,7,9H2,1-2H3