2,2-dimethyl-4-(3-oxidanidylpyrimidin-3-ium-4-yl)-3,4-dihydrochromene-6-carbonitrile

Systemtic Name: 2,2-dimethyl-4-(3-oxidanidylpyrimidin-3-ium-4-yl)-3,4-dihydrochromene-6-carbonitrile Openeye Name: 2,2-dimethyl-4-(3-oxidopyrimidin-3-ium-4-yl)chromane-6-carbonitrile CAS Name: 2,2-dimethyl-4-(3-oxido-4-pyrimidin-3-iumyl)-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: 2,2-dimethyl-4-(3-oxidopyrimidin-3-ium-4-yl)-3,4-dihydrochromene-6-carbonitrile Traditional Name: 2,2-dimethyl-4-(3-oxidopyrimidin-3-ium-4-yl)chroman-6-carbonitrile Formula: C16H15N3O2 MolecularWeight: 281.3092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O2/c1-16(2)8-13(14-5-6-18-10-19(14)20)12-7-11(9-17)3-4-15(12)21-16/h3-7,10,13H,8H2,1-2H3