ethyl 3-[(7-chloranyl-9-methoxy-1-benzoxepin-4-yl)carbonylamino]benzoate

Systemtic Name: ethyl 3-[(7-chloranyl-9-methoxy-1-benzoxepin-4-yl)carbonylamino]benzoate Openeye Name: ethyl 3-[(7-chloro-9-methoxy-1-benzoxepine-4-carbonyl)amino]benzoate CAS Name: 3-[[(7-chloro-9-methoxy-1-benzoxepin-4-yl)-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(7-chloro-9-methoxy-1-benzoxepine-4-carbonyl)amino]benzoate Traditional Name: 3-[(7-chloro-9-methoxy-1-benzoxepin-4-carbonyl)amino]benzoic acid ethyl ester Formula: C21H18ClNO5 MolecularWeight: 399.82432

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)C2=CC3=CC(=CC(=C3OC=C2)OC)Cl

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)C2=CC3=CC(=CC(=C3OC=C2)OC)Cl

InChI

InChI=1S/C21H18ClNO5/c1-3-27-21(25)14-5-4-6-17(11-14)23-20(24)13-7-8-28-19-15(9-13)10-16(22)12-18(19)26-2/h4-12H,3H2,1-2H3,(H,23,24)