4-[(E)-2-(4-azanylquinazolin-2-yl)-2-cyano-ethenyl]benzoic acid

Systemtic Name: 4-[(E)-2-(4-azanylquinazolin-2-yl)-2-cyano-ethenyl]benzoic acid Openeye Name: 4-[(E)-2-(4-aminoquinazolin-2-yl)-2-cyano-vinyl]benzoic acid CAS Name: 4-[(E)-2-(4-amino-2-quinazolinyl)-2-cyanoethenyl]benzoic acid IUPAC Name: 4-[(E)-2-(4-aminoquinazolin-2-yl)-2-cyanoethenyl]benzoic acid Traditional Name: 4-[(E)-2-(4-aminoquinazolin-2-yl)-2-cyano-vinyl]benzoic acid Formula: C18H12N4O2 MolecularWeight: 316.31348

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)C(=CC3=CC=C(C=C3)C(=O)O)C#N)N

Isomeric SMILES

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

InChI

InChI=1S/C18H12N4O2/c19-10-13(9-11-5-7-12(8-6-11)18(23)24)17-21-15-4-2-1-3-14(15)16(20)22-17/h1-9H,(H,23,24)(H2,20,21,22)/b13-9+