ethyl 2-[(5-bromanylfuran-2-yl)carbonylamino]-1H-1,5-benzodiazepine-3-carboxylate

Systemtic Name: ethyl 2-[(5-bromanylfuran-2-yl)carbonylamino]-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 2-[(5-bromofuran-2-carbonyl)amino]-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 2-[[(5-bromo-2-furanyl)-oxomethyl]amino]-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(5-bromofuran-2-carbonyl)amino]-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 2-[(5-bromo-2-furoyl)amino]-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C17H14BrN3O4 MolecularWeight: 404.21476

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=CC=CC=C2N=C1)NC(=O)C3=CC=C(O3)Br

Isomeric SMILES

CCOC(=O)C1=C(NC2=CC=CC=C2N=C1)NC(=O)C3=CC=C(O3)Br

InChI

InChI=1S/C17H14BrN3O4/c1-2-24-17(23)10-9-19-11-5-3-4-6-12(11)20-15(10)21-16(22)13-7-8-14(18)25-13/h3-9,20H,2H2,1H3,(H,21,22)