9-nitro-11-oxidanylidene-5-(phenylmethyl)-10aH-benzimidazolo[1,2-b]isoquinolin-5-ium-6-carbonitrile

Systemtic Name: 9-nitro-11-oxidanylidene-5-(phenylmethyl)-10aH-benzimidazolo[1,2-b]isoquinolin-5-ium-6-carbonitrile Openeye Name: 5-benzyl-9-nitro-11-oxo-10aH-benzimidazolo[1,2-b]isoquinolin-5-ium-6-carbonitrile CAS Name: 9-nitro-11-oxo-5-(phenylmethyl)-10aH-benzimidazolo[1,2-b]isoquinolin-5-ium-6-carbonitrile IUPAC Name: 5-benzyl-9-nitro-11-oxo-10aH-benzimidazolo[1,2-b]isoquinolin-5-ium-6-carbonitrile Traditional Name: 5-benzyl-11-keto-9-nitro-10aH-benzimidazol[1,2-b]isoquinolin-5-ium-6-carbonitrile Formula: C23H15N4O3+ MolecularWeight: 395.3902

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=C3C(=C4C=CC(=CC4C(=O)N3C5=CC=CC=C52)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=C3C(=C4C=CC(=CC4C(=O)N3C5=CC=CC=C52)[N+](=O)[O-])C#N

InChI

InChI=1S/C23H15N4O3/c24-13-19-17-11-10-16(27(29)30)12-18(17)23(28)26-21-9-5-4-8-20(21)25(22(19)26)14-15-6-2-1-3-7-15/h1-12,18H,14H2/q+1