5-(6-methoxy-1-oxidanidyl-pyridin-1-ium-3-yl)-2,2-dimethyl-1,3-benzodioxin-4-one

Systemtic Name: 5-(6-methoxy-1-oxidanidyl-pyridin-1-ium-3-yl)-2,2-dimethyl-1,3-benzodioxin-4-one Openeye Name: 5-(6-methoxy-1-oxido-pyridin-1-ium-3-yl)-2,2-dimethyl-1,3-benzodioxin-4-one CAS Name: 5-(6-methoxy-1-oxido-3-pyridin-1-iumyl)-2,2-dimethyl-1,3-benzodioxin-4-one IUPAC Name: 5-(6-methoxy-1-oxidopyridin-1-ium-3-yl)-2,2-dimethyl-1,3-benzodioxin-4-one Traditional Name: 5-(6-methoxy-1-oxido-pyridin-1-ium-3-yl)-2,2-dimethyl-1,3-benzodioxin-4-one Formula: C16H15NO5 MolecularWeight: 301.294

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2=CC=CC(=C2C(=O)O1)C3=C[N+](=C(C=C3)OC)[O-])C

Isomeric SMILES

CC1(OC2=CC=CC(=C2C(=O)O1)C3=C[N+](=C(C=C3)OC)[O-])C

InChI

InChI=1S/C16H15NO5/c1-16(2)21-12-6-4-5-11(14(12)15(18)22-16)10-7-8-13(20-3)17(19)9-10/h4-9H,1-3H3