2-[(E)-2-[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-1-cyano-ethenyl]quinazolin-4-olate

Systemtic Name: 2-[(E)-2-[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-1-cyano-ethenyl]quinazolin-4-olate Openeye Name: 2-[(E)-2-[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-1-cyano-vinyl]quinazolin-4-olate CAS Name: 2-[(E)-2-[1-(4-chlorophenyl)-2,5-dimethyl-3-pyrrolyl]-1-cyanoethenyl]-4-quinazolinolate IUPAC Name: 2-[(E)-2-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-1-cyanoethenyl]quinazolin-4-olate Traditional Name: 2-[(E)-2-[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-1-cyano-vinyl]quinazolin-4-olate Formula: C23H16ClN4O- MolecularWeight: 399.85234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)Cl)C)C=C(C#N)C3=NC4=CC=CC=C4C(=N3)[O-]

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)Cl)C)/C=C(\C#N)/C3=NC4=CC=CC=C4C(=N3)[O-]

InChI

InChI=1S/C23H17ClN4O/c1-14-11-16(15(2)28(14)19-9-7-18(24)8-10-19)12-17(13-25)22-26-21-6-4-3-5-20(21)23(29)27-22/h3-12H,1-2H3,(H,26,27,29)/p-1/b17-12+