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

Systemtic Name: (6-methyl-3-nitro-2-oxidanylidene-1H-pyridin-4-yl) 4-butoxybenzoate Openeye Name: (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 4-butoxybenzoate CAS Name: 4-butoxybenzoic 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-butoxybenzoate Traditional Name: 4-butoxybenzoic acid (2-keto-6-methyl-3-nitro-1H-pyridin-4-yl) ester Formula: C17H18N2O6 MolecularWeight: 346.33462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OC2=C(C(=O)NC(=C2)C)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OC2=C(C(=O)NC(=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O6/c1-3-4-9-24-13-7-5-12(6-8-13)17(21)25-14-10-11(2)18-16(20)15(14)19(22)23/h5-8,10H,3-4,9H2,1-2H3,(H,18,20)