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

Systemtic Name: N-(5-methoxy-2-methyl-4-nitro-phenyl)-4-nitro-5-pyrrolidin-1-yl-2,1,3-benzoxadiazol-7-amine Openeye Name: N-(5-methoxy-2-methyl-4-nitro-phenyl)-4-nitro-5-pyrrolidin-1-yl-2,1,3-benzoxadiazol-7-amine CAS Name: N-(5-methoxy-2-methyl-4-nitrophenyl)-4-nitro-5-(1-pyrrolidinyl)-2,1,3-benzoxadiazol-7-amine IUPAC Name: N-(5-methoxy-2-methyl-4-nitrophenyl)-4-nitro-5-pyrrolidin-1-yl-2,1,3-benzoxadiazol-7-amine Traditional Name: (5-methoxy-2-methyl-4-nitro-phenyl)-(7-nitro-6-pyrrolidino-benzofurazan-4-yl)amine Formula: C18H18N6O6 MolecularWeight: 414.37212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC2=CC(=C(C3=NON=C23)[N+](=O)[O-])N4CCCC4)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1NC2=CC(=C(C3=NON=C23)[N+](=O)[O-])N4CCCC4)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H18N6O6/c1-10-7-13(23(25)26)15(29-2)9-11(10)19-12-8-14(22-5-3-4-6-22)18(24(27)28)17-16(12)20-30-21-17/h7-9,19H,3-6H2,1-2H3