methyl 2,2-dimethyl-4-(1-oxidanidylpyridin-1-ium-2-yl)-1,3-benzoxazine-6-carboxylate

Systemtic Name: methyl 2,2-dimethyl-4-(1-oxidanidylpyridin-1-ium-2-yl)-1,3-benzoxazine-6-carboxylate Openeye Name: methyl 2,2-dimethyl-4-(1-oxidopyridin-1-ium-2-yl)-1,3-benzoxazine-6-carboxylate CAS Name: 2,2-dimethyl-4-(1-oxido-2-pyridin-1-iumyl)-1,3-benzoxazine-6-carboxylic acid methyl ester IUPAC Name: methyl 2,2-dimethyl-4-(1-oxidopyridin-1-ium-2-yl)-1,3-benzoxazine-6-carboxylate Traditional Name: 2,2-dimethyl-4-(1-oxidopyridin-1-ium-2-yl)-1,3-benzoxazine-6-carboxylic acid methyl ester Formula: C17H16N2O4 MolecularWeight: 312.31994

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Descriptors Computed from Structure

Canonical SMILES:

CC1(N=C(C2=C(O1)C=CC(=C2)C(=O)OC)C3=CC=CC=[N+]3[O-])C

Isomeric SMILES

CC1(N=C(C2=C(O1)C=CC(=C2)C(=O)OC)C3=CC=CC=[N+]3[O-])C

InChI

InChI=1S/C17H16N2O4/c1-17(2)18-15(13-6-4-5-9-19(13)21)12-10-11(16(20)22-3)7-8-14(12)23-17/h4-10H,1-3H3