2-[[7-[cyclopentyl(pyridin-4-ylmethyl)amino]-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]ethanol

Systemtic Name: 2-[[7-[cyclopentyl(pyridin-4-ylmethyl)amino]-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]ethanol Openeye Name: 2-[[7-[cyclopentyl(4-pyridylmethyl)amino]-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]ethanol CAS Name: 2-[[7-[cyclopentyl(pyridin-4-ylmethyl)amino]-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]ethanol IUPAC Name: 2-[[7-[cyclopentyl(pyridin-4-ylmethyl)amino]-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]ethanol Traditional Name: 2-[[7-[cyclopentyl(4-pyridylmethyl)amino]-4-nitro-benzofurazan-5-yl]amino]ethanol Formula: C19H22N6O4 MolecularWeight: 398.41578

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N(CC2=CC=NC=C2)C3=CC(=C(C4=NON=C34)[N+](=O)[O-])NCCO

Isomeric SMILES

C1CCC(C1)N(CC2=CC=NC=C2)C3=CC(=C(C4=NON=C34)[N+](=O)[O-])NCCO

InChI

InChI=1S/C19H22N6O4/c26-10-9-21-15-11-16(17-18(23-29-22-17)19(15)25(27)28)24(14-3-1-2-4-14)12-13-5-7-20-8-6-13/h5-8,11,14,21,26H,1-4,9-10,12H2