[1-[(4-fluoranyl-3-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 6-(cyclopropylamino)pyridine-3-carboxylate

Systemtic Name: [1-[(4-fluoranyl-3-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 6-(cyclopropylamino)pyridine-3-carboxylate Openeye Name: [2-(4-fluoro-3-nitro-anilino)-1-methyl-2-oxo-ethyl] 6-(cyclopropylamino)pyridine-3-carboxylate CAS Name: 6-(cyclopropylamino)-3-pyridinecarboxylic acid [1-(4-fluoro-3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-fluoro-3-nitroanilino)-1-oxopropan-2-yl] 6-(cyclopropylamino)pyridine-3-carboxylate Traditional Name: 6-(cyclopropylamino)nicotinic acid [2-(4-fluoro-3-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C18H17FN4O5 MolecularWeight: 388.349783

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])OC(=O)C2=CN=C(C=C2)NC3CC3

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])OC(=O)C2=CN=C(C=C2)NC3CC3

InChI

InChI=1S/C18H17FN4O5/c1-10(17(24)22-13-5-6-14(19)15(8-13)23(26)27)28-18(25)11-2-7-16(20-9-11)21-12-3-4-12/h2,5-10,12H,3-4H2,1H3,(H,20,21)(H,22,24)