(6-methyl-3-nitro-2-oxidanylidene-1H-pyridin-4-yl) 4-butylcyclohexane-1-carboxylate

Systemtic Name: (6-methyl-3-nitro-2-oxidanylidene-1H-pyridin-4-yl) 4-butylcyclohexane-1-carboxylate Openeye Name: (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 4-butylcyclohexanecarboxylate CAS Name: 4-butyl-1-cyclohexanecarboxylic acid (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) ester IUPAC Name: (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 4-butylcyclohexane-1-carboxylate Traditional Name: 4-butylcyclohexanecarboxylic acid (2-keto-6-methyl-3-nitro-1H-pyridin-4-yl) ester Formula: C17H24N2O5 MolecularWeight: 336.38286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C(=O)OC2=C(C(=O)NC(=C2)C)[N+](=O)[O-]

Isomeric SMILES

CCCCC1CCC(CC1)C(=O)OC2=C(C(=O)NC(=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C17H24N2O5/c1-3-4-5-12-6-8-13(9-7-12)17(21)24-14-10-11(2)18-16(20)15(14)19(22)23/h10,12-13H,3-9H2,1-2H3,(H,18,20)