2-[(Z)-1-chloranyl-2-(1-phenylpyrazol-4-yl)ethenyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: 2-[(Z)-1-chloranyl-2-(1-phenylpyrazol-4-yl)ethenyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: 2-[(Z)-1-chloro-2-(1-phenylpyrazol-4-yl)vinyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[(Z)-1-chloro-2-(1-phenyl-4-pyrazolyl)ethenyl]-4-oxo-1H-quinazoline-7-carboxylate IUPAC Name: 2-[(Z)-1-chloro-2-(1-phenylpyrazol-4-yl)ethenyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[(Z)-1-chloro-2-(1-phenylpyrazol-4-yl)vinyl]-4-keto-1H-quinazoline-7-carboxylate Formula: C20H12ClN4O3- MolecularWeight: 391.78728

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)C=C(C3=NC(=O)C4=C(N3)C=C(C=C4)C(=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)/C=C(/C3=NC(=O)C4=C(N3)C=C(C=C4)C(=O)[O-])\Cl

InChI

InChI=1S/C20H13ClN4O3/c21-16(8-12-10-22-25(11-12)14-4-2-1-3-5-14)18-23-17-9-13(20(27)28)6-7-15(17)19(26)24-18/h1-11H,(H,27,28)(H,23,24,26)/p-1/b16-8-