2-[4-(2,4-dimethylphenyl)carbonylpiperidin-1-yl]-5-nitro-pyridine-3-carboxamide

Systemtic Name: 2-[4-(2,4-dimethylphenyl)carbonylpiperidin-1-yl]-5-nitro-pyridine-3-carboxamide Openeye Name: 2-[4-(2,4-dimethylbenzoyl)-1-piperidyl]-5-nitro-pyridine-3-carboxamide CAS Name: 2-[4-[(2,4-dimethylphenyl)-oxomethyl]-1-piperidinyl]-5-nitro-3-pyridinecarboxamide IUPAC Name: 2-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]-5-nitropyridine-3-carboxamide Traditional Name: 2-[4-(2,4-dimethylbenzoyl)piperidino]-5-nitro-nicotinamide Formula: C20H22N4O4 MolecularWeight: 382.41308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)C2CCN(CC2)C3=NC=C(C=C3C(=O)N)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)C2CCN(CC2)C3=NC=C(C=C3C(=O)N)[N+](=O)[O-])C

InChI

InChI=1S/C20H22N4O4/c1-12-3-4-16(13(2)9-12)18(25)14-5-7-23(8-6-14)20-17(19(21)26)10-15(11-22-20)24(27)28/h3-4,9-11,14H,5-8H2,1-2H3,(H2,21,26)