8-chloranyl-3,3-dimethyl-5-(1-oxidanidylpyridin-1-ium-2-yl)-2H-1-benzoxepine-7-carbonitrile

Systemtic Name: 8-chloranyl-3,3-dimethyl-5-(1-oxidanidylpyridin-1-ium-2-yl)-2H-1-benzoxepine-7-carbonitrile Openeye Name: 8-chloro-3,3-dimethyl-5-(1-oxidopyridin-1-ium-2-yl)-2H-1-benzoxepine-7-carbonitrile CAS Name: 8-chloro-3,3-dimethyl-5-(1-oxido-2-pyridin-1-iumyl)-2H-1-benzoxepin-7-carbonitrile IUPAC Name: 8-chloro-3,3-dimethyl-5-(1-oxidopyridin-1-ium-2-yl)-2H-1-benzoxepine-7-carbonitrile Traditional Name: 8-chloro-3,3-dimethyl-5-(1-oxidopyridin-1-ium-2-yl)-2H-1-benzoxepin-7-carbonitrile Formula: C18H15ClN2O2 MolecularWeight: 326.7769

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C(C=C(C(=C2)Cl)C#N)C(=C1)C3=CC=CC=[N+]3[O-])C

Isomeric SMILES

CC1(COC2=C(C=C(C(=C2)Cl)C#N)C(=C1)C3=CC=CC=[N+]3[O-])C

InChI

InChI=1S/C18H15ClN2O2/c1-18(2)9-14(16-5-3-4-6-21(16)22)13-7-12(10-20)15(19)8-17(13)23-11-18/h3-9H,11H2,1-2H3