methyl 5-nitro-6-(pyridin-3-ylmethylamino)pyridine-3-carboxylate

Systemtic Name: methyl 5-nitro-6-(pyridin-3-ylmethylamino)pyridine-3-carboxylate Openeye Name: methyl 5-nitro-6-(3-pyridylmethylamino)pyridine-3-carboxylate CAS Name: 5-nitro-6-(3-pyridinylmethylamino)-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-nitro-6-(pyridin-3-ylmethylamino)pyridine-3-carboxylate Traditional Name: 5-nitro-6-(3-pyridylmethylamino)nicotinic acid methyl ester Formula: C13H12N4O4 MolecularWeight: 288.25878

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(N=C1)NCC2=CN=CC=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(N=C1)NCC2=CN=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H12N4O4/c1-21-13(18)10-5-11(17(19)20)12(16-8-10)15-7-9-3-2-4-14-6-9/h2-6,8H,7H2,1H3,(H,15,16)