2,2-dimethyl-4-(1-oxidanidylpyrimidin-1-ium-2-yl)-3,4-dihydrochromene-6-carbonitrile

Systemtic Name: 2,2-dimethyl-4-(1-oxidanidylpyrimidin-1-ium-2-yl)-3,4-dihydrochromene-6-carbonitrile Openeye Name: 2,2-dimethyl-4-(1-oxidopyrimidin-1-ium-2-yl)chromane-6-carbonitrile CAS Name: 2,2-dimethyl-4-(1-oxido-2-pyrimidin-1-iumyl)-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: 2,2-dimethyl-4-(1-oxidopyrimidin-1-ium-2-yl)-3,4-dihydrochromene-6-carbonitrile Traditional Name: 2,2-dimethyl-4-(1-oxidopyrimidin-1-ium-2-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=NC=CC=[N+]3[O-])C

Isomeric SMILES

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

InChI

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