methyl 5-nitro-6-(2-pyridin-4-ylethylamino)pyridine-3-carboxylate

Systemtic Name: methyl 5-nitro-6-(2-pyridin-4-ylethylamino)pyridine-3-carboxylate Openeye Name: methyl 5-nitro-6-[2-(4-pyridyl)ethylamino]pyridine-3-carboxylate CAS Name: 5-nitro-6-(2-pyridin-4-ylethylamino)-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-nitro-6-(2-pyridin-4-ylethylamino)pyridine-3-carboxylate Traditional Name: 5-nitro-6-[2-(4-pyridyl)ethylamino]nicotinic acid methyl ester Formula: C14H14N4O4 MolecularWeight: 302.28536

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(N=C1)NCCC2=CC=NC=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(N=C1)NCCC2=CC=NC=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H14N4O4/c1-22-14(19)11-8-12(18(20)21)13(17-9-11)16-7-4-10-2-5-15-6-3-10/h2-3,5-6,8-9H,4,7H2,1H3,(H,16,17)