(3Z)-3-[(2,4-dimethylphenyl)methylidene]-9-oxidanylidene-1,2-dihydropyrrolo[2,1-b]quinazoline-7-carboxylic acid

Systemtic Name: (3Z)-3-[(2,4-dimethylphenyl)methylidene]-9-oxidanylidene-1,2-dihydropyrrolo[2,1-b]quinazoline-7-carboxylic acid Openeye Name: (3Z)-3-[(2,4-dimethylphenyl)methylene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-7-carboxylic acid CAS Name: (3Z)-3-[(2,4-dimethylphenyl)methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-7-carboxylic acid IUPAC Name: (3Z)-3-[(2,4-dimethylphenyl)methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-7-carboxylic acid Traditional Name: (3Z)-3-(2,4-dimethylbenzylidene)-9-keto-1,2-dihydropyrrolo[2,1-b]quinazoline-7-carboxylic acid Formula: C21H18N2O3 MolecularWeight: 346.37922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C=C2CCN3C2=NC4=C(C3=O)C=C(C=C4)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)/C=C\2/CCN3C2=NC4=C(C3=O)C=C(C=C4)C(=O)O)C

InChI

InChI=1S/C21H18N2O3/c1-12-3-4-14(13(2)9-12)10-15-7-8-23-19(15)22-18-6-5-16(21(25)26)11-17(18)20(23)24/h3-6,9-11H,7-8H2,1-2H3,(H,25,26)/b15-10-