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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(C(C=C2C3=CC=CC=[N+]3[O-])(C)C)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)OC(C(C=C2C3=CC=CC=[N+]3[O-])(C)C)C#N

InChI

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