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

Systemtic Name: 3,3-dimethyl-5-(1-oxidanidylpyridin-1-ium-2-yl)-2H-1-benzoxepine-8-carbonitrile Openeye Name: 3,3-dimethyl-5-(1-oxidopyridin-1-ium-2-yl)-2H-1-benzoxepine-8-carbonitrile CAS Name: 3,3-dimethyl-5-(1-oxido-2-pyridin-1-iumyl)-2H-1-benzoxepin-8-carbonitrile IUPAC Name: 3,3-dimethyl-5-(1-oxidopyridin-1-ium-2-yl)-2H-1-benzoxepine-8-carbonitrile Traditional Name: 3,3-dimethyl-5-(1-oxidopyridin-1-ium-2-yl)-2H-1-benzoxepin-8-carbonitrile Formula: C18H16N2O2 MolecularWeight: 292.33184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O2/c1-18(2)10-15(16-5-3-4-8-20(16)21)14-7-6-13(11-19)9-17(14)22-12-18/h3-10H,12H2,1-2H3