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

Systemtic Name: ethyl 6-[[3-(2-azanyl-3-nitro-phenoxy)-2-oxidanyl-propyl]-piperidin-4-yl-amino]pyridine-3-carboxylate Openeye Name: ethyl 6-[[3-(2-amino-3-nitro-phenoxy)-2-hydroxy-propyl]-(4-piperidyl)amino]pyridine-3-carboxylate CAS Name: 6-[[3-(2-amino-3-nitrophenoxy)-2-hydroxypropyl]-(4-piperidinyl)amino]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[[3-(2-amino-3-nitrophenoxy)-2-hydroxypropyl]-piperidin-4-ylamino]pyridine-3-carboxylate Traditional Name: 6-[[3-(2-amino-3-nitro-phenoxy)-2-hydroxy-propyl]-(4-piperidyl)amino]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)N(CC(COC2=CC=CC(=C2N)[N+](=O)[O-])O)C3CCNCC3

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)N(CC(COC2=CC=CC(=C2N)[N+](=O)[O-])O)C3CCNCC3

InChI

InChI=1S/C22H29N5O6/c1-2-32-22(29)15-6-7-20(25-12-15)26(16-8-10-24-11-9-16)13-17(28)14-33-19-5-3-4-18(21(19)23)27(30)31/h3-7,12,16-17,24,28H,2,8-11,13-14,23H2,1H3