methyl 4-[(4-bromanyl-5-oxidanylidene-3,4-dihydro-2H-1-benzazepin-1-yl)carbonyl]-2-methoxy-benzoate

Systemtic Name: methyl 4-[(4-bromanyl-5-oxidanylidene-3,4-dihydro-2H-1-benzazepin-1-yl)carbonyl]-2-methoxy-benzoate Openeye Name: methyl 4-(4-bromo-5-oxo-3,4-dihydro-2H-1-benzazepine-1-carbonyl)-2-methoxy-benzoate CAS Name: 4-[(4-bromo-5-oxo-3,4-dihydro-2H-1-benzazepin-1-yl)-oxomethyl]-2-methoxybenzoic acid methyl ester IUPAC Name: methyl 4-(4-bromo-5-oxo-3,4-dihydro-2H-1-benzazepine-1-carbonyl)-2-methoxybenzoate Traditional Name: 4-(4-bromo-5-keto-3,4-dihydro-2H-1-benzazepine-1-carbonyl)-2-methoxy-benzoic acid methyl ester Formula: C20H18BrNO5 MolecularWeight: 432.26462

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)N2CCC(C(=O)C3=CC=CC=C32)Br)C(=O)OC

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)N2CCC(C(=O)C3=CC=CC=C32)Br)C(=O)OC

InChI

InChI=1S/C20H18BrNO5/c1-26-17-11-12(7-8-14(17)20(25)27-2)19(24)22-10-9-15(21)18(23)13-5-3-4-6-16(13)22/h3-8,11,15H,9-10H2,1-2H3