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

Systemtic Name: ethyl 6-[4-[[3-(2-azanyl-3-nitro-phenoxy)-2-oxidanyl-propyl]amino]piperidin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 6-[4-[[3-(2-amino-3-nitro-phenoxy)-2-hydroxy-propyl]amino]-1-piperidyl]pyridine-3-carboxylate CAS Name: 6-[4-[[3-(2-amino-3-nitrophenoxy)-2-hydroxypropyl]amino]-1-piperidinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-[[3-(2-amino-3-nitrophenoxy)-2-hydroxypropyl]amino]piperidin-1-yl]pyridine-3-carboxylate Traditional Name: 6-[4-[[3-(2-amino-3-nitro-phenoxy)-2-hydroxy-propyl]amino]piperidino]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)N2CCC(CC2)NCC(COC3=CC=CC(=C3N)[N+](=O)[O-])O

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)N2CCC(CC2)NCC(COC3=CC=CC(=C3N)[N+](=O)[O-])O

InChI

InChI=1S/C22H29N5O6/c1-2-32-22(29)15-6-7-20(25-12-15)26-10-8-16(9-11-26)24-13-17(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