5-(5,6-dimethylbenzimidazol-1-yl)-8-nitro-isoquinoline

Systemtic Name: 5-(5,6-dimethylbenzimidazol-1-yl)-8-nitro-isoquinoline Openeye Name: 5-(5,6-dimethylbenzimidazol-1-yl)-8-nitro-isoquinoline CAS Name: 5-(5,6-dimethyl-1-benzimidazolyl)-8-nitroisoquinoline IUPAC Name: 5-(5,6-dimethylbenzimidazol-1-yl)-8-nitroisoquinoline Traditional Name: 5-(5,6-dimethylbenzimidazol-1-yl)-8-nitro-isoquinoline Formula: C18H14N4O2 MolecularWeight: 318.32936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N(C=N2)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1C)N(C=N2)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H14N4O2/c1-11-7-15-18(8-12(11)2)21(10-20-15)16-3-4-17(22(23)24)14-9-19-6-5-13(14)16/h3-10H,1-2H3