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

Systemtic Name: N-ethyl-4-nitro-N-(phenylmethyl)-5-pyrrolidin-1-yl-2,1,3-benzoxadiazol-7-amine Openeye Name: N-benzyl-N-ethyl-4-nitro-5-pyrrolidin-1-yl-2,1,3-benzoxadiazol-7-amine CAS Name: N-ethyl-4-nitro-N-(phenylmethyl)-5-(1-pyrrolidinyl)-2,1,3-benzoxadiazol-7-amine IUPAC Name: N-benzyl-N-ethyl-4-nitro-5-pyrrolidin-1-yl-2,1,3-benzoxadiazol-7-amine Traditional Name: benzyl-ethyl-(7-nitro-6-pyrrolidino-benzofurazan-4-yl)amine Formula: C19H21N5O3 MolecularWeight: 367.40174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N5O3/c1-2-22(13-14-8-4-3-5-9-14)15-12-16(23-10-6-7-11-23)19(24(25)26)18-17(15)20-27-21-18/h3-5,8-9,12H,2,6-7,10-11,13H2,1H3