5-(3-chloranyl-4-methyl-phenyl)-6-oxidanylidene-benzo[b][1,4]benzoxazepine-2,3-dicarbonitrile

Systemtic Name: 5-(3-chloranyl-4-methyl-phenyl)-6-oxidanylidene-benzo[b][1,4]benzoxazepine-2,3-dicarbonitrile Openeye Name: 5-(3-chloro-4-methyl-phenyl)-6-oxo-benzo[b][1,4]benzoxazepine-2,3-dicarbonitrile CAS Name: 5-(3-chloro-4-methylphenyl)-6-oxobenzo[b][1,4]benzoxazepine-2,3-dicarbonitrile IUPAC Name: 5-(3-chloro-4-methylphenyl)-6-oxobenzo[b][1,4]benzoxazepine-2,3-dicarbonitrile Traditional Name: 5-(3-chloro-4-methyl-phenyl)-6-keto-benzo[b][1,4]benzoxazepine-2,3-dicarbonitrile Formula: C22H12ClN3O2 MolecularWeight: 385.80258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C3=C(C=C(C(=C3)C#N)C#N)OC4=CC=CC=C4C2=O)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C3=C(C=C(C(=C3)C#N)C#N)OC4=CC=CC=C4C2=O)Cl

InChI

InChI=1S/C22H12ClN3O2/c1-13-6-7-16(10-18(13)23)26-19-8-14(11-24)15(12-25)9-21(19)28-20-5-3-2-4-17(20)22(26)27/h2-10H,1H3