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

Systemtic Name: N-(2-methoxy-5-nitro-phenyl)-4-nitro-5-pyrrolidin-1-yl-2,1,3-benzoxadiazol-7-amine Openeye Name: N-(2-methoxy-5-nitro-phenyl)-4-nitro-5-pyrrolidin-1-yl-2,1,3-benzoxadiazol-7-amine CAS Name: N-(2-methoxy-5-nitrophenyl)-4-nitro-5-(1-pyrrolidinyl)-2,1,3-benzoxadiazol-7-amine IUPAC Name: N-(2-methoxy-5-nitrophenyl)-4-nitro-5-pyrrolidin-1-yl-2,1,3-benzoxadiazol-7-amine Traditional Name: (2-methoxy-5-nitro-phenyl)-(7-nitro-6-pyrrolidino-benzofurazan-4-yl)amine Formula: C17H16N6O6 MolecularWeight: 400.34554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N6O6/c1-28-14-5-4-10(22(24)25)8-11(14)18-12-9-13(21-6-2-3-7-21)17(23(26)27)16-15(12)19-29-20-16/h4-5,8-9,18H,2-3,6-7H2,1H3