(2E)-2-(4-azanyl-1H-quinazolin-2-ylidene)-3-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)propanenitrile

Systemtic Name: (2E)-2-(4-azanyl-1H-quinazolin-2-ylidene)-3-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)propanenitrile Openeye Name: (2E)-2-(4-amino-1H-quinazolin-2-ylidene)-3-(4-oxocyclohexa-2,5-dien-1-ylidene)propanenitrile CAS Name: (2E)-2-(4-amino-1H-quinazolin-2-ylidene)-3-(4-oxo-1-cyclohexa-2,5-dienylidene)propanenitrile IUPAC Name: (2E)-2-(4-amino-1H-quinazolin-2-ylidene)-3-(4-oxocyclohexa-2,5-dien-1-ylidene)propanenitrile Traditional Name: (2E)-2-(4-amino-1H-quinazolin-2-ylidene)-3-(4-ketocyclohexa-2,5-dien-1-ylidene)propionitrile Formula: C17H12N4O MolecularWeight: 288.30338

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=C(C=C3C=CC(=O)C=C3)C#N)N2)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=N/C(=C(\C=C3C=CC(=O)C=C3)/C#N)/N2)N

InChI

InChI=1S/C17H12N4O/c18-10-12(9-11-5-7-13(22)8-6-11)17-20-15-4-2-1-3-14(15)16(19)21-17/h1-9,20H,(H2,19,21)/b17-12+