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

Systemtic Name: (3E)-3-[(4-acetamidophenyl)methylidene]-9-oxidanylidene-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate Openeye Name: (3E)-3-[(4-acetamidophenyl)methylene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate CAS Name: (3E)-3-[(4-acetamidophenyl)methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate IUPAC Name: (3E)-3-[(4-acetamidophenyl)methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate Traditional Name: (3E)-3-(4-acetamidobenzylidene)-9-keto-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate Formula: C21H16N3O4- MolecularWeight: 374.36944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C=C2CCN3C2=NC4=C(C3=O)C=CC(=C4)C(=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)/C=C/2\CCN3C2=NC4=C(C3=O)C=CC(=C4)C(=O)[O-]

InChI

InChI=1S/C21H17N3O4/c1-12(25)22-16-5-2-13(3-6-16)10-14-8-9-24-19(14)23-18-11-15(21(27)28)4-7-17(18)20(24)26/h2-7,10-11H,8-9H2,1H3,(H,22,25)(H,27,28)/p-1/b14-10+