4-[2-[(E)-2-[4-(dimethylazaniumyl)phenyl]ethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoate

Systemtic Name: 4-[2-[(E)-2-[4-(dimethylazaniumyl)phenyl]ethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoate Openeye Name: 4-[2-[(E)-2-[4-(dimethylammonio)phenyl]vinyl]-4-oxo-quinazolin-3-yl]benzoate CAS Name: 4-[2-[(E)-2-[4-(dimethylammonio)phenyl]ethenyl]-4-oxo-3-quinazolinyl]benzoate IUPAC Name: 4-[2-[(E)-2-[4-(dimethylazaniumyl)phenyl]ethenyl]-4-oxoquinazolin-3-yl]benzoate Traditional Name: 4-[2-[(E)-2-[4-(dimethylammonio)phenyl]vinyl]-4-keto-quinazolin-3-yl]benzoate Formula: C25H21N3O3 MolecularWeight: 411.45254

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C1=CC=C(C=C1)C=CC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C(=O)[O-]

Isomeric SMILES

C[NH+](C)C1=CC=C(C=C1)/C=C/C2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C(=O)[O-]

InChI

InChI=1S/C25H21N3O3/c1-27(2)19-12-7-17(8-13-19)9-16-23-26-22-6-4-3-5-21(22)24(29)28(23)20-14-10-18(11-15-20)25(30)31/h3-16H,1-2H3,(H,30,31)/b16-9+