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

Systemtic Name: (3E)-3-[(4-methoxy-3-methyl-phenyl)methylidene]-9-oxidanylidene-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate Openeye Name: (3E)-3-[(4-methoxy-3-methyl-phenyl)methylene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate CAS Name: (3E)-3-[(4-methoxy-3-methylphenyl)methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate IUPAC Name: (3E)-3-[(4-methoxy-3-methylphenyl)methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate Traditional Name: (3E)-9-keto-3-(4-methoxy-3-methyl-benzylidene)-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate Formula: C21H17N2O4- MolecularWeight: 361.37068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O4/c1-12-9-13(3-6-18(12)27-2)10-14-7-8-23-19(14)22-17-11-15(21(25)26)4-5-16(17)20(23)24/h3-6,9-11H,7-8H2,1-2H3,(H,25,26)/p-1/b14-10+