3,3-dimethyl-5-(1-oxidanidylpyridin-1-ium-2-yl)-2H-1-benzoxepine-7-carboxamide

Systemtic Name: 3,3-dimethyl-5-(1-oxidanidylpyridin-1-ium-2-yl)-2H-1-benzoxepine-7-carboxamide Openeye Name: 3,3-dimethyl-5-(1-oxidopyridin-1-ium-2-yl)-2H-1-benzoxepine-7-carboxamide CAS Name: 3,3-dimethyl-5-(1-oxido-2-pyridin-1-iumyl)-2H-1-benzoxepin-7-carboxamide IUPAC Name: 3,3-dimethyl-5-(1-oxidopyridin-1-ium-2-yl)-2H-1-benzoxepine-7-carboxamide Traditional Name: 3,3-dimethyl-5-(1-oxidopyridin-1-ium-2-yl)-2H-1-benzoxepin-7-carboxamide Formula: C18H18N2O3 MolecularWeight: 310.34712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O3/c1-18(2)10-14(15-5-3-4-8-20(15)22)13-9-12(17(19)21)6-7-16(13)23-11-18/h3-10H,11H2,1-2H3,(H2,19,21)