methyl 2-[(7-bromanyl-1-benzoxepin-4-yl)carbonylamino]benzoate

Systemtic Name: methyl 2-[(7-bromanyl-1-benzoxepin-4-yl)carbonylamino]benzoate Openeye Name: methyl 2-[(7-bromo-1-benzoxepine-4-carbonyl)amino]benzoate CAS Name: 2-[[(7-bromo-1-benzoxepin-4-yl)-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[(7-bromo-1-benzoxepine-4-carbonyl)amino]benzoate Traditional Name: 2-[(7-bromo-1-benzoxepin-4-carbonyl)amino]benzoic acid methyl ester Formula: C19H14BrNO4 MolecularWeight: 400.22276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)C2=CC3=C(C=CC(=C3)Br)OC=C2

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)C2=CC3=C(C=CC(=C3)Br)OC=C2

InChI

InChI=1S/C19H14BrNO4/c1-24-19(23)15-4-2-3-5-16(15)21-18(22)12-8-9-25-17-7-6-14(20)11-13(17)10-12/h2-11H,1H3,(H,21,22)