3-nitro-N'-(2-oxidanyl-3-piperidin-1-yl-propoxy)benzenecarboximidamide

Systemtic Name: 3-nitro-N'-(2-oxidanyl-3-piperidin-1-yl-propoxy)benzenecarboximidamide Openeye Name: N'-[2-hydroxy-3-(1-piperidyl)propoxy]-3-nitro-benzamidine CAS Name: N'-[2-hydroxy-3-(1-piperidinyl)propoxy]-3-nitrobenzenecarboximidamide IUPAC Name: N'-(2-hydroxy-3-piperidin-1-ylpropoxy)-3-nitrobenzenecarboximidamide Traditional Name: N'-(2-hydroxy-3-piperidino-propoxy)-3-nitro-benzamidine Formula: C15H22N4O4 MolecularWeight: 322.35958

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC(CON=C(C2=CC(=CC=C2)[N+](=O)[O-])N)O

Isomeric SMILES

C1CCN(CC1)CC(CO/N=C(\C2=CC(=CC=C2)[N+](=O)[O-])/N)O

InChI

InChI=1S/C15H22N4O4/c16-15(12-5-4-6-13(9-12)19(21)22)17-23-11-14(20)10-18-7-2-1-3-8-18/h4-6,9,14,20H,1-3,7-8,10-11H2,(H2,16,17)