3-(5-bromanylfuran-2-yl)carbonyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid

Systemtic Name: 3-(5-bromanylfuran-2-yl)carbonyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid Openeye Name: 3-(5-bromofuran-2-carbonyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid CAS Name: 3-[(5-bromo-2-furanyl)-oxomethyl]-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid IUPAC Name: 3-(5-bromofuran-2-carbonyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid Traditional Name: 3-(5-bromo-2-furoyl)-6,7,8,9-tetrahydro-5H-pyrrol[1,2-a]azepine-9-carboxylic acid Formula: C15H14BrNO4 MolecularWeight: 352.17996

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN2C(=CC=C2C(=O)C3=CC=C(O3)Br)C(C1)C(=O)O

Isomeric SMILES

C1CCN2C(=CC=C2C(=O)C3=CC=C(O3)Br)C(C1)C(=O)O

InChI

InChI=1S/C15H14BrNO4/c16-13-7-6-12(21-13)14(18)11-5-4-10-9(15(19)20)3-1-2-8-17(10)11/h4-7,9H,1-3,8H2,(H,19,20)