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

Systemtic Name: (3-cyanophenyl)methyl 9-oxidanylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate Openeye Name: (3-cyanophenyl)methyl 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)methyl ester IUPAC Name: (3-cyanophenyl)methyl 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-cyanobenzyl) ester Formula: C20H15N3O3 MolecularWeight: 345.3514

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=NC3=C(C=CC(=C3)C(=O)OCC4=CC=CC(=C4)C#N)C(=O)N2C1

Isomeric SMILES

C1CC2=NC3=C(C=CC(=C3)C(=O)OCC4=CC=CC(=C4)C#N)C(=O)N2C1

InChI

InChI=1S/C20H15N3O3/c21-11-13-3-1-4-14(9-13)12-26-20(25)15-6-7-16-17(10-15)22-18-5-2-8-23(18)19(16)24/h1,3-4,6-7,9-10H,2,5,8,12H2