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

Systemtic Name: 2-(3-bromanylphenoxy)ethyl 9-oxidanylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate Openeye Name: 2-(3-bromophenoxy)ethyl 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 2-(3-bromophenoxy)ethyl ester IUPAC Name: 2-(3-bromophenoxy)ethyl 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 2-(3-bromophenoxy)ethyl ester Formula: C20H17BrN2O4 MolecularWeight: 429.26398

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=NC3=C(C=CC(=C3)C(=O)OCCOC4=CC(=CC=C4)Br)C(=O)N2C1

Isomeric SMILES

C1CC2=NC3=C(C=CC(=C3)C(=O)OCCOC4=CC(=CC=C4)Br)C(=O)N2C1

InChI

InChI=1S/C20H17BrN2O4/c21-14-3-1-4-15(12-14)26-9-10-27-20(25)13-6-7-16-17(11-13)22-18-5-2-8-23(18)19(16)24/h1,3-4,6-7,11-12H,2,5,8-10H2