(3E)-3-[(4-methylphenyl)methylidene]-9-oxidanylidene-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate

Systemtic Name: (3E)-3-[(4-methylphenyl)methylidene]-9-oxidanylidene-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate Openeye Name: (3E)-9-oxo-3-(p-tolylmethylene)-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate CAS Name: (3E)-3-[(4-methylphenyl)methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate IUPAC Name: (3E)-3-[(4-methylphenyl)methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate Traditional Name: (3E)-9-keto-3-(4-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=C(C=C1)C=C2CCN3C2=NC4=C(C3=O)C=CC(=C4)C(=O)[O-]

Isomeric SMILES

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

InChI

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