2,2-dimethyl-4-(1-oxidanidylpyridin-1-ium-2-yl)-1,3-benzoxazine-6-carboxylic acid

Systemtic Name: 2,2-dimethyl-4-(1-oxidanidylpyridin-1-ium-2-yl)-1,3-benzoxazine-6-carboxylic acid Openeye Name: 2,2-dimethyl-4-(1-oxidopyridin-1-ium-2-yl)-1,3-benzoxazine-6-carboxylic acid CAS Name: 2,2-dimethyl-4-(1-oxido-2-pyridin-1-iumyl)-1,3-benzoxazine-6-carboxylic acid IUPAC Name: 2,2-dimethyl-4-(1-oxidopyridin-1-ium-2-yl)-1,3-benzoxazine-6-carboxylic acid Traditional Name: 2,2-dimethyl-4-(1-oxidopyridin-1-ium-2-yl)-1,3-benzoxazine-6-carboxylic acid Formula: C16H14N2O4 MolecularWeight: 298.29336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O4/c1-16(2)17-14(12-5-3-4-8-18(12)21)11-9-10(15(19)20)6-7-13(11)22-16/h3-9H,1-2H3,(H,19,20)