ethyl 3-[(7-bromanyl-1-benzoxepin-4-yl)carbonylamino]benzoate

Systemtic Name: ethyl 3-[(7-bromanyl-1-benzoxepin-4-yl)carbonylamino]benzoate Openeye Name: ethyl 3-[(7-bromo-1-benzoxepine-4-carbonyl)amino]benzoate CAS Name: 3-[[(7-bromo-1-benzoxepin-4-yl)-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(7-bromo-1-benzoxepine-4-carbonyl)amino]benzoate Traditional Name: 3-[(7-bromo-1-benzoxepin-4-carbonyl)amino]benzoic acid ethyl ester Formula: C20H16BrNO4 MolecularWeight: 414.24934

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)C2=CC3=C(C=CC(=C3)Br)OC=C2

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)C2=CC3=C(C=CC(=C3)Br)OC=C2

InChI

InChI=1S/C20H16BrNO4/c1-2-25-20(24)14-4-3-5-17(12-14)22-19(23)13-8-9-26-18-7-6-16(21)11-15(18)10-13/h3-12H,2H2,1H3,(H,22,23)