3-azanyl-4-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]benzenecarbonitrile

Systemtic Name: 3-azanyl-4-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]benzenecarbonitrile Openeye Name: 3-amino-4-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]benzonitrile CAS Name: 3-amino-4-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]benzonitrile IUPAC Name: 3-amino-4-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]benzonitrile Traditional Name: 3-amino-4-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]benzonitrile Formula: C13H17N3O2 MolecularWeight: 247.29298

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(CO1)NC2=C(C=C(C=C2)C#N)N)C

Isomeric SMILES

CC1(OCC(CO1)NC2=C(C=C(C=C2)C#N)N)C

InChI

InChI=1S/C13H17N3O2/c1-13(2)17-7-10(8-18-13)16-12-4-3-9(6-14)5-11(12)15/h3-5,10,16H,7-8,15H2,1-2H3