butyl (Z)-4-(3-chloranyl-6H-benzo[b][1,4]benzoxazepin-5-yl)-4-oxidanylidene-but-2-enoate

Systemtic Name: butyl (Z)-4-(3-chloranyl-6H-benzo[b][1,4]benzoxazepin-5-yl)-4-oxidanylidene-but-2-enoate Openeye Name: butyl (Z)-4-(3-chloro-6H-benzo[b][1,4]benzoxazepin-5-yl)-4-oxo-but-2-enoate CAS Name: (Z)-4-(3-chloro-6H-benzo[b][1,4]benzoxazepin-5-yl)-4-oxo-2-butenoic acid butyl ester IUPAC Name: butyl (Z)-4-(3-chloro-6H-benzo[b][1,4]benzoxazepin-5-yl)-4-oxobut-2-enoate Traditional Name: (Z)-4-(3-chloro-6H-benzo[b][1,4]benzoxazepin-5-yl)-4-keto-but-2-enoic acid butyl ester Formula: C21H20ClNO4 MolecularWeight: 385.8408

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C=CC(=O)N1CC2=CC=CC=C2OC3=C1C=C(C=C3)Cl

Isomeric SMILES

CCCCOC(=O)/C=C\C(=O)N1CC2=CC=CC=C2OC3=C1C=C(C=C3)Cl

InChI

InChI=1S/C21H20ClNO4/c1-2-3-12-26-21(25)11-10-20(24)23-14-15-6-4-5-7-18(15)27-19-9-8-16(22)13-17(19)23/h4-11,13H,2-3,12,14H2,1H3/b11-10-