dimethyl 2-[(7-bromanyl-1-benzoxepin-4-yl)carbonylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[(7-bromanyl-1-benzoxepin-4-yl)carbonylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[(7-bromo-1-benzoxepine-4-carbonyl)amino]benzene-1,4-dicarboxylate CAS Name: 2-[[(7-bromo-1-benzoxepin-4-yl)-oxomethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[(7-bromo-1-benzoxepine-4-carbonyl)amino]benzene-1,4-dicarboxylate Traditional Name: 2-[(7-bromo-1-benzoxepin-4-carbonyl)amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C21H16BrNO6 MolecularWeight: 458.25884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16BrNO6/c1-27-20(25)13-3-5-16(21(26)28-2)17(11-13)23-19(24)12-7-8-29-18-6-4-15(22)10-14(18)9-12/h3-11H,1-2H3,(H,23,24)