(phenylmethyl) N-(3-chloranyl-6-oxidanylidene-5H-benzo[b][1,4]benzoxazepin-8-yl)carbamate

Systemtic Name: (phenylmethyl) N-(3-chloranyl-6-oxidanylidene-5H-benzo[b][1,4]benzoxazepin-8-yl)carbamate Openeye Name: benzyl N-(3-chloro-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)carbamate CAS Name: N-(3-chloro-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-(3-chloro-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)carbamate Traditional Name: N-(3-chloro-6-keto-5H-benzo[b][1,4]benzoxazepin-8-yl)carbamic acid benzyl ester Formula: C21H15ClN2O4 MolecularWeight: 394.8078

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC2=CC3=C(C=C2)OC4=C(C=C(C=C4)Cl)NC3=O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC2=CC3=C(C=C2)OC4=C(C=C(C=C4)Cl)NC3=O

InChI

InChI=1S/C21H15ClN2O4/c22-14-6-8-19-17(10-14)24-20(25)16-11-15(7-9-18(16)28-19)23-21(26)27-12-13-4-2-1-3-5-13/h1-11H,12H2,(H,23,26)(H,24,25)