dimethyl 2-[(7-chloranyl-9-methoxy-1-benzoxepin-4-yl)carbonylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[(7-chloranyl-9-methoxy-1-benzoxepin-4-yl)carbonylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[(7-chloro-9-methoxy-1-benzoxepine-4-carbonyl)amino]benzene-1,4-dicarboxylate CAS Name: 2-[[(7-chloro-9-methoxy-1-benzoxepin-4-yl)-oxomethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[(7-chloro-9-methoxy-1-benzoxepine-4-carbonyl)amino]benzene-1,4-dicarboxylate Traditional Name: 2-[(7-chloro-9-methoxy-1-benzoxepin-4-carbonyl)amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C22H18ClNO7 MolecularWeight: 443.83382

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1)Cl)C=C(C=CO2)C(=O)NC3=C(C=CC(=C3)C(=O)OC)C(=O)OC

Isomeric SMILES

COC1=C2C(=CC(=C1)Cl)C=C(C=CO2)C(=O)NC3=C(C=CC(=C3)C(=O)OC)C(=O)OC

InChI

InChI=1S/C22H18ClNO7/c1-28-18-11-15(23)9-14-8-12(6-7-31-19(14)18)20(25)24-17-10-13(21(26)29-2)4-5-16(17)22(27)30-3/h4-11H,1-3H3,(H,24,25)