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

Systemtic Name: 3,3,8-trimethyl-5-(1-oxidanidylpyridin-1-ium-2-yl)-2H-1-benzoxepine-7-carbonitrile Openeye Name: 3,3,8-trimethyl-5-(1-oxidopyridin-1-ium-2-yl)-2H-1-benzoxepine-7-carbonitrile CAS Name: 3,3,8-trimethyl-5-(1-oxido-2-pyridin-1-iumyl)-2H-1-benzoxepin-7-carbonitrile IUPAC Name: 3,3,8-trimethyl-5-(1-oxidopyridin-1-ium-2-yl)-2H-1-benzoxepine-7-carbonitrile Traditional Name: 3,3,8-trimethyl-5-(1-oxidopyridin-1-ium-2-yl)-2H-1-benzoxepin-7-carbonitrile Formula: C19H18N2O2 MolecularWeight: 306.35842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C#N)C(=CC(CO2)(C)C)C3=CC=CC=[N+]3[O-]

Isomeric SMILES

CC1=CC2=C(C=C1C#N)C(=CC(CO2)(C)C)C3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C19H18N2O2/c1-13-8-18-15(9-14(13)11-20)16(10-19(2,3)12-23-18)17-6-4-5-7-21(17)22/h4-10H,12H2,1-3H3