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

Systemtic Name: N-(4-methoxy-2-nitro-phenyl)-4-nitro-5-pyrrolidin-1-yl-2,1,3-benzoxadiazol-7-amine Openeye Name: N-(4-methoxy-2-nitro-phenyl)-4-nitro-5-pyrrolidin-1-yl-2,1,3-benzoxadiazol-7-amine CAS Name: N-(4-methoxy-2-nitrophenyl)-4-nitro-5-(1-pyrrolidinyl)-2,1,3-benzoxadiazol-7-amine IUPAC Name: N-(4-methoxy-2-nitrophenyl)-4-nitro-5-pyrrolidin-1-yl-2,1,3-benzoxadiazol-7-amine Traditional Name: (4-methoxy-2-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=CC(=C(C=C1)NC2=CC(=C(C3=NON=C23)[N+](=O)[O-])N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H16N6O6/c1-28-10-4-5-11(13(8-10)22(24)25)18-12-9-14(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