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

Systemtic Name: 3-cyanopropyl 9-oxidanylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate Openeye Name: 3-cyanopropyl 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-cyanopropyl ester IUPAC Name: 3-cyanopropyl 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-cyanopropyl ester Formula: C16H15N3O3 MolecularWeight: 297.3086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O3/c17-7-1-2-9-22-16(21)11-5-6-12-13(10-11)18-14-4-3-8-19(14)15(12)20/h5-6,10H,1-4,8-9H2