ethyl (2Z)-2-[7-chloranyl-5-(2-chlorophenyl)-2-oxidanylidene-1-propyl-5H-4,1-benzoxazepin-3-ylidene]ethanoate

Systemtic Name: ethyl (2Z)-2-[7-chloranyl-5-(2-chlorophenyl)-2-oxidanylidene-1-propyl-5H-4,1-benzoxazepin-3-ylidene]ethanoate Openeye Name: ethyl (2Z)-2-[7-chloro-5-(2-chlorophenyl)-2-oxo-1-propyl-5H-4,1-benzoxazepin-3-ylidene]acetate CAS Name: (2Z)-2-[7-chloro-5-(2-chlorophenyl)-2-oxo-1-propyl-5H-4,1-benzoxazepin-3-ylidene]acetic acid ethyl ester IUPAC Name: ethyl (2Z)-2-[7-chloro-5-(2-chlorophenyl)-2-oxo-1-propyl-5H-4,1-benzoxazepin-3-ylidene]acetate Traditional Name: (2Z)-2-[7-chloro-5-(2-chlorophenyl)-2-keto-1-propyl-5H-4,1-benzoxazepin-3-ylidene]acetic acid ethyl ester Formula: C22H21Cl2NO4 MolecularWeight: 434.31244

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)Cl)C(OC(=CC(=O)OCC)C1=O)C3=CC=CC=C3Cl

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)Cl)C(O/C(=C\C(=O)OCC)/C1=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C22H21Cl2NO4/c1-3-11-25-18-10-9-14(23)12-16(18)21(15-7-5-6-8-17(15)24)29-19(22(25)27)13-20(26)28-4-2/h5-10,12-13,21H,3-4,11H2,1-2H3/b19-13-