2-[(2,3-dimethylphenyl)amino]-N-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]pyridine-3-carboxamide

Systemtic Name: 2-[(2,3-dimethylphenyl)amino]-N-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]pyridine-3-carboxamide Openeye Name: 2-(2,3-dimethylanilino)-N-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]pyridine-3-carboxamide CAS Name: 2-(2,3-dimethylanilino)-N-[2-(2-methyl-5-nitro-1-imidazolyl)ethyl]-3-pyridinecarboxamide IUPAC Name: 2-(2,3-dimethylanilino)-N-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]pyridine-3-carboxamide Traditional Name: 2-(2,3-dimethylanilino)-N-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]nicotinamide Formula: C20H22N6O3 MolecularWeight: 394.42708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC2=C(C=CC=N2)C(=O)NCCN3C(=NC=C3[N+](=O)[O-])C)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC2=C(C=CC=N2)C(=O)NCCN3C(=NC=C3[N+](=O)[O-])C)C

InChI

InChI=1S/C20H22N6O3/c1-13-6-4-8-17(14(13)2)24-19-16(7-5-9-21-19)20(27)22-10-11-25-15(3)23-12-18(25)26(28)29/h4-9,12H,10-11H2,1-3H3,(H,21,24)(H,22,27)