[2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 6-morpholin-4-ylpyridine-3-carboxylate

Systemtic Name: [2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 6-morpholin-4-ylpyridine-3-carboxylate Openeye Name: [2-(2-methyl-6-nitro-anilino)-2-oxo-ethyl] 6-morpholinopyridine-3-carboxylate CAS Name: 6-(4-morpholinyl)-3-pyridinecarboxylic acid [2-(2-methyl-6-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-6-nitroanilino)-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate Traditional Name: 6-morpholinonicotinic acid [2-keto-2-(2-methyl-6-nitro-anilino)ethyl] ester Formula: C19H20N4O6 MolecularWeight: 400.3853

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=CN=C(C=C2)N3CCOCC3

Isomeric SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=CN=C(C=C2)N3CCOCC3

InChI

InChI=1S/C19H20N4O6/c1-13-3-2-4-15(23(26)27)18(13)21-17(24)12-29-19(25)14-5-6-16(20-11-14)22-7-9-28-10-8-22/h2-6,11H,7-10,12H2,1H3,(H,21,24)