4-nitro-N-(phenylmethyl)-5-pyrrolidin-1-yl-2,1,3-benzoxadiazol-7-amine

Systemtic Name: 4-nitro-N-(phenylmethyl)-5-pyrrolidin-1-yl-2,1,3-benzoxadiazol-7-amine Openeye Name: N-benzyl-4-nitro-5-pyrrolidin-1-yl-2,1,3-benzoxadiazol-7-amine CAS Name: 4-nitro-N-(phenylmethyl)-5-(1-pyrrolidinyl)-2,1,3-benzoxadiazol-7-amine IUPAC Name: N-benzyl-4-nitro-5-pyrrolidin-1-yl-2,1,3-benzoxadiazol-7-amine Traditional Name: benzyl-(7-nitro-6-pyrrolidino-benzofurazan-4-yl)amine Formula: C17H17N5O3 MolecularWeight: 339.34858

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C3=NON=C3C(=C2)NCC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C3=NON=C3C(=C2)NCC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H17N5O3/c23-22(24)17-14(21-8-4-5-9-21)10-13(15-16(17)20-25-19-15)18-11-12-6-2-1-3-7-12/h1-3,6-7,10,18H,4-5,8-9,11H2