methyl 7-bromanyl-1-(2-oxidanylidenepropyl)-2,3-dihydro-1-benzazepine-4-carboxylate

Systemtic Name: methyl 7-bromanyl-1-(2-oxidanylidenepropyl)-2,3-dihydro-1-benzazepine-4-carboxylate Openeye Name: methyl 1-acetonyl-7-bromo-2,3-dihydro-1-benzazepine-4-carboxylate CAS Name: 7-bromo-1-(2-oxopropyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid methyl ester IUPAC Name: methyl 7-bromo-1-(2-oxopropyl)-2,3-dihydro-1-benzazepine-4-carboxylate Traditional Name: 1-acetonyl-7-bromo-2,3-dihydro-1-benzazepine-4-carboxylic acid methyl ester Formula: C15H16BrNO3 MolecularWeight: 338.19644

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN1CCC(=CC2=C1C=CC(=C2)Br)C(=O)OC

Isomeric SMILES

CC(=O)CN1CCC(=CC2=C1C=CC(=C2)Br)C(=O)OC

InChI

InChI=1S/C15H16BrNO3/c1-10(18)9-17-6-5-11(15(19)20-2)7-12-8-13(16)3-4-14(12)17/h3-4,7-8H,5-6,9H2,1-2H3