4-nitro-N-[(2-pyrrolidin-1-ylpyridin-4-yl)methyl]-2,1,3-benzoxadiazol-7-amine

Systemtic Name: 4-nitro-N-[(2-pyrrolidin-1-ylpyridin-4-yl)methyl]-2,1,3-benzoxadiazol-7-amine Openeye Name: 4-nitro-N-[(2-pyrrolidin-1-yl-4-pyridyl)methyl]-2,1,3-benzoxadiazol-7-amine CAS Name: 4-nitro-N-[[2-(1-pyrrolidinyl)-4-pyridinyl]methyl]-2,1,3-benzoxadiazol-7-amine IUPAC Name: 4-nitro-N-[(2-pyrrolidin-1-ylpyridin-4-yl)methyl]-2,1,3-benzoxadiazol-7-amine Traditional Name: (7-nitrobenzofurazan-4-yl)-[(2-pyrrolidino-4-pyridyl)methyl]amine Formula: C16H16N6O3 MolecularWeight: 340.33664

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC=CC(=C2)CNC3=CC=C(C4=NON=C34)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=NC=CC(=C2)CNC3=CC=C(C4=NON=C34)[N+](=O)[O-]

InChI

InChI=1S/C16H16N6O3/c23-22(24)13-4-3-12(15-16(13)20-25-19-15)18-10-11-5-6-17-14(9-11)21-7-1-2-8-21/h3-6,9,18H,1-2,7-8,10H2