3-[2-[4-[(3-methylphenyl)methoxy]phenyl]-5-oxidanylidene-1,3,4-oxadiazin-4-yl]propanenitrile

Systemtic Name: 3-[2-[4-[(3-methylphenyl)methoxy]phenyl]-5-oxidanylidene-1,3,4-oxadiazin-4-yl]propanenitrile Openeye Name: 3-[2-[4-(m-tolylmethoxy)phenyl]-5-oxo-1,3,4-oxadiazin-4-yl]propanenitrile CAS Name: 3-[2-[4-[(3-methylphenyl)methoxy]phenyl]-5-oxo-1,3,4-oxadiazin-4-yl]propanenitrile IUPAC Name: 3-[2-[4-[(3-methylphenyl)methoxy]phenyl]-5-oxo-1,3,4-oxadiazin-4-yl]propanenitrile Traditional Name: 3-[5-keto-2-[4-(3-methylbenzyl)oxyphenyl]-1,3,4-oxadiazin-4-yl]propionitrile Formula: C20H19N3O3 MolecularWeight: 349.38316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)COC2=CC=C(C=C2)C3=NN(C(=O)CO3)CCC#N

Isomeric SMILES

CC1=CC(=CC=C1)COC2=CC=C(C=C2)C3=NN(C(=O)CO3)CCC#N

InChI

InChI=1S/C20H19N3O3/c1-15-4-2-5-16(12-15)13-25-18-8-6-17(7-9-18)20-22-23(11-3-10-21)19(24)14-26-20/h2,4-9,12H,3,11,13-14H2,1H3