methyl 7-bromanyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-2-carboxylate

Systemtic Name: methyl 7-bromanyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-2-carboxylate Openeye Name: methyl 7-bromo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-2-carboxylate CAS Name: 7-bromo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-2-carboxylic acid methyl ester IUPAC Name: methyl 7-bromo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-2-carboxylate Traditional Name: 7-bromo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-2-carboxylic acid methyl ester Formula: C11H13BrN2O2 MolecularWeight: 285.13712

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CNCC2=C(N1)C=CC(=C2)Br

Isomeric SMILES

COC(=O)C1CNCC2=C(N1)C=CC(=C2)Br

InChI

InChI=1S/C11H13BrN2O2/c1-16-11(15)10-6-13-5-7-4-8(12)2-3-9(7)14-10/h2-4,10,13-14H,5-6H2,1H3