(3E)-3-[(3-methylphenyl)methylidene]-9-oxidanylidene-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate

Systemtic Name: (3E)-3-[(3-methylphenyl)methylidene]-9-oxidanylidene-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate Openeye Name: (3E)-3-(m-tolylmethylene)-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate CAS Name: (3E)-3-[(3-methylphenyl)methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate IUPAC Name: (3E)-3-[(3-methylphenyl)methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate Traditional Name: (3E)-9-keto-3-(3-methylbenzylidene)-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate Formula: C20H15N2O3- MolecularWeight: 331.3447

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16N2O3/c1-12-3-2-4-13(9-12)10-14-7-8-22-18(14)21-17-11-15(20(24)25)5-6-16(17)19(22)23/h2-6,9-11H,7-8H2,1H3,(H,24,25)/p-1/b14-10+