4-[2-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoic acid

Systemtic Name: 4-[2-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoic acid Openeye Name: 4-[2-[(E)-2-(1-methylpyrazol-4-yl)vinyl]-4-oxo-quinazolin-3-yl]benzoic acid CAS Name: 4-[2-[(E)-2-(1-methyl-4-pyrazolyl)ethenyl]-4-oxo-3-quinazolinyl]benzoic acid IUPAC Name: 4-[2-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-4-oxoquinazolin-3-yl]benzoic acid Traditional Name: 4-[4-keto-2-[(E)-2-(1-methylpyrazol-4-yl)vinyl]quinazolin-3-yl]benzoic acid Formula: C21H16N4O3 MolecularWeight: 372.37674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C=CC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CN1C=C(C=N1)/C=C/C2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C21H16N4O3/c1-24-13-14(12-22-24)6-11-19-23-18-5-3-2-4-17(18)20(26)25(19)16-9-7-15(8-10-16)21(27)28/h2-13H,1H3,(H,27,28)/b11-6+