(2E)-2-(3-azanylisoindol-1-ylidene)-2-(1-methyl-2-oxidanylidene-quinazolin-1-ium-1-yl)ethanenitrile

Systemtic Name: (2E)-2-(3-azanylisoindol-1-ylidene)-2-(1-methyl-2-oxidanylidene-quinazolin-1-ium-1-yl)ethanenitrile Openeye Name: (2E)-2-(3-aminoisoindol-1-ylidene)-2-(1-methyl-2-oxo-quinazolin-1-ium-1-yl)acetonitrile CAS Name: (2E)-2-(3-amino-1-isoindolylidene)-2-(1-methyl-2-oxo-1-quinazolin-1-iumyl)acetonitrile IUPAC Name: (2E)-2-(3-aminoisoindol-1-ylidene)-2-(1-methyl-2-oxoquinazolin-1-ium-1-yl)acetonitrile Traditional Name: (2E)-2-(3-aminoisoindol-1-ylidene)-2-(2-keto-1-methyl-quinazolin-1-ium-1-yl)acetonitrile Formula: C19H14N5O+ MolecularWeight: 328.34736

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C2=CC=CC=C2C=NC1=O)C(=C3C4=CC=CC=C4C(=N3)N)C#N

Isomeric SMILES

C[N+]1(C2=CC=CC=C2C=NC1=O)/C(=C/3\C4=CC=CC=C4C(=N3)N)/C#N

InChI

InChI=1S/C19H14N5O/c1-24(15-9-5-2-6-12(15)11-22-19(24)25)16(10-20)17-13-7-3-4-8-14(13)18(21)23-17/h2-9,11H,1H3,(H2,21,23)/q+1/b17-16+