4-[(E)-2-(3-methyl-1-oxidanylidene-4H-benzo[f]quinazolin-9-yl)ethenyl]benzoic acid

Systemtic Name: 4-[(E)-2-(3-methyl-1-oxidanylidene-4H-benzo[f]quinazolin-9-yl)ethenyl]benzoic acid Openeye Name: 4-[(E)-2-(3-methyl-1-oxo-4H-benzo[f]quinazolin-9-yl)vinyl]benzoic acid CAS Name: 4-[(E)-2-(3-methyl-1-oxo-4H-benzo[f]quinazolin-9-yl)ethenyl]benzoic acid IUPAC Name: 4-[(E)-2-(3-methyl-1-oxo-4H-benzo[f]quinazolin-9-yl)ethenyl]benzoic acid Traditional Name: 4-[(E)-2-(1-keto-3-methyl-4H-benzo[f]quinazolin-9-yl)vinyl]benzoic acid Formula: C22H16N2O3 MolecularWeight: 356.37404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=C(N1)C=CC3=C2C=C(C=C3)C=CC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC1=NC(=O)C2=C(N1)C=CC3=C2C=C(C=C3)/C=C/C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C22H16N2O3/c1-13-23-19-11-10-16-7-6-15(12-18(16)20(19)21(25)24-13)3-2-14-4-8-17(9-5-14)22(26)27/h2-12H,1H3,(H,26,27)(H,23,24,25)/b3-2+