(3-cyanophenyl) 9-oxidanylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate

Systemtic Name: (3-cyanophenyl) 9-oxidanylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate Openeye Name: (3-cyanophenyl) 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate CAS Name: 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylic acid (3-cyanophenyl) ester IUPAC Name: (3-cyanophenyl) 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate Traditional Name: 9-keto-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylic acid (3-cyanophenyl) ester Formula: C19H13N3O3 MolecularWeight: 331.32482

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=NC3=C(C=CC(=C3)C(=O)OC4=CC=CC(=C4)C#N)C(=O)N2C1

Isomeric SMILES

C1CC2=NC3=C(C=CC(=C3)C(=O)OC4=CC=CC(=C4)C#N)C(=O)N2C1

InChI

InChI=1S/C19H13N3O3/c20-11-12-3-1-4-14(9-12)25-19(24)13-6-7-15-16(10-13)21-17-5-2-8-22(17)18(15)23/h1,3-4,6-7,9-10H,2,5,8H2