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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC2=C(C3=NON=C3C(=C2)N4CCCC4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)NC2=C(C3=NON=C3C(=C2)N4CCCC4)[N+](=O)[O-])C

InChI

InChI=1S/C18H19N5O3/c1-11-5-6-13(12(2)9-11)19-14-10-15(22-7-3-4-8-22)16-17(21-26-20-16)18(14)23(24)25/h5-6,9-10,19H,3-4,7-8H2,1-2H3