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

Systemtic Name: 2,2-dimethyl-4-(1-oxidanidylpyridin-1-ium-2-yl)-1,3-benzoxazine-6-carbonitrile Openeye Name: 2,2-dimethyl-4-(1-oxidopyridin-1-ium-2-yl)-1,3-benzoxazine-6-carbonitrile CAS Name: 2,2-dimethyl-4-(1-oxido-2-pyridin-1-iumyl)-1,3-benzoxazine-6-carbonitrile IUPAC Name: 2,2-dimethyl-4-(1-oxidopyridin-1-ium-2-yl)-1,3-benzoxazine-6-carbonitrile Traditional Name: 2,2-dimethyl-4-(1-oxidopyridin-1-ium-2-yl)-1,3-benzoxazine-6-carbonitrile Formula: C16H13N3O2 MolecularWeight: 279.29332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N3O2/c1-16(2)18-15(13-5-3-4-8-19(13)20)12-9-11(10-17)6-7-14(12)21-16/h3-9H,1-2H3