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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=C(C3=NON=C3C(=C2)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1NC2=C(C3=NON=C3C(=C2)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C17H17N5O3/c1-11-6-2-3-7-12(11)18-13-10-14(21-8-4-5-9-21)15-16(20-25-19-15)17(13)22(23)24/h2-3,6-7,10,18H,4-5,8-9H2,1H3