ethyl 6-[1-(2-azanyl-3-nitro-phenoxy)-2-oxidanyl-1-(piperidin-4-ylamino)propyl]pyridine-3-carboxylate

Systemtic Name: ethyl 6-[1-(2-azanyl-3-nitro-phenoxy)-2-oxidanyl-1-(piperidin-4-ylamino)propyl]pyridine-3-carboxylate Openeye Name: ethyl 6-[1-(2-amino-3-nitro-phenoxy)-2-hydroxy-1-(4-piperidylamino)propyl]pyridine-3-carboxylate CAS Name: 6-[1-(2-amino-3-nitrophenoxy)-2-hydroxy-1-(4-piperidinylamino)propyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[1-(2-amino-3-nitrophenoxy)-2-hydroxy-1-(piperidin-4-ylamino)propyl]pyridine-3-carboxylate Traditional Name: 6-[1-(2-amino-3-nitro-phenoxy)-2-hydroxy-1-(4-piperidylamino)propyl]nicotinic acid ethyl ester Formula: C22H29N5O6 MolecularWeight: 459.49556

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)C(C(C)O)(NC2CCNCC2)OC3=CC=CC(=C3N)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)C(C(C)O)(NC2CCNCC2)OC3=CC=CC(=C3N)[N+](=O)[O-]

InChI

InChI=1S/C22H29N5O6/c1-3-32-21(29)15-7-8-19(25-13-15)22(14(2)28,26-16-9-11-24-12-10-16)33-18-6-4-5-17(20(18)23)27(30)31/h4-8,13-14,16,24,26,28H,3,9-12,23H2,1-2H3