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

Systemtic Name: N-(2,5-dimethoxyphenyl)-4-nitro-5-pyrrolidin-1-yl-2,1,3-benzoxadiazol-7-amine Openeye Name: N-(2,5-dimethoxyphenyl)-4-nitro-5-pyrrolidin-1-yl-2,1,3-benzoxadiazol-7-amine CAS Name: N-(2,5-dimethoxyphenyl)-4-nitro-5-(1-pyrrolidinyl)-2,1,3-benzoxadiazol-7-amine IUPAC Name: N-(2,5-dimethoxyphenyl)-4-nitro-5-pyrrolidin-1-yl-2,1,3-benzoxadiazol-7-amine Traditional Name: (2,5-dimethoxyphenyl)-(7-nitro-6-pyrrolidino-benzofurazan-4-yl)amine Formula: C18H19N5O5 MolecularWeight: 385.37396

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC2=CC(=C(C3=NON=C23)[N+](=O)[O-])N4CCCC4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC2=CC(=C(C3=NON=C23)[N+](=O)[O-])N4CCCC4

InChI

InChI=1S/C18H19N5O5/c1-26-11-5-6-15(27-2)12(9-11)19-13-10-14(22-7-3-4-8-22)18(23(24)25)17-16(13)20-28-21-17/h5-6,9-10,19H,3-4,7-8H2,1-2H3