N-cyclopentyl-4-nitro-N-(pyridin-4-ylmethyl)-2,1,3-benzoxadiazol-5-amine

Systemtic Name: N-cyclopentyl-4-nitro-N-(pyridin-4-ylmethyl)-2,1,3-benzoxadiazol-5-amine Openeye Name: N-cyclopentyl-4-nitro-N-(4-pyridylmethyl)-2,1,3-benzoxadiazol-5-amine CAS Name: N-cyclopentyl-4-nitro-N-(pyridin-4-ylmethyl)-2,1,3-benzoxadiazol-5-amine IUPAC Name: N-cyclopentyl-4-nitro-N-(pyridin-4-ylmethyl)-2,1,3-benzoxadiazol-5-amine Traditional Name: cyclopentyl-(4-nitrobenzofurazan-5-yl)-(4-pyridylmethyl)amine Formula: C17H17N5O3 MolecularWeight: 339.34858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N(CC2=CC=NC=C2)C3=C(C4=NON=C4C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC(C1)N(CC2=CC=NC=C2)C3=C(C4=NON=C4C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H17N5O3/c23-22(24)17-15(6-5-14-16(17)20-25-19-14)21(13-3-1-2-4-13)11-12-7-9-18-10-8-12/h5-10,13H,1-4,11H2