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

Systemtic Name: N-methyl-4-nitro-N-(phenylmethyl)-5-pyrrolidin-1-yl-2,1,3-benzoxadiazol-7-amine Openeye Name: N-benzyl-N-methyl-4-nitro-5-pyrrolidin-1-yl-2,1,3-benzoxadiazol-7-amine CAS Name: N-methyl-4-nitro-N-(phenylmethyl)-5-(1-pyrrolidinyl)-2,1,3-benzoxadiazol-7-amine IUPAC Name: N-benzyl-N-methyl-4-nitro-5-pyrrolidin-1-yl-2,1,3-benzoxadiazol-7-amine Traditional Name: benzyl-methyl-(7-nitro-6-pyrrolidino-benzofurazan-4-yl)amine Formula: C18H19N5O3 MolecularWeight: 353.37516

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])N4CCCC4

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])N4CCCC4

InChI

InChI=1S/C18H19N5O3/c1-21(12-13-7-3-2-4-8-13)14-11-15(22-9-5-6-10-22)18(23(24)25)17-16(14)19-26-20-17/h2-4,7-8,11H,5-6,9-10,12H2,1H3