4-[(3S,3aS,6aS)-5-(4-methylphenyl)-4,6-bis(oxidanylidene)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-3-yl]benzenecarbonitrile

Systemtic Name: 4-[(3S,3aS,6aS)-5-(4-methylphenyl)-4,6-bis(oxidanylidene)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-3-yl]benzenecarbonitrile Openeye Name: 4-[(3S,3aS,6aS)-4,6-dioxo-2-phenyl-5-(p-tolyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d]isoxazol-3-yl]benzonitrile CAS Name: 4-[(3S,3aS,6aS)-5-(4-methylphenyl)-4,6-dioxo-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d]isoxazol-3-yl]benzonitrile IUPAC Name: 4-[(3S,3aS,6aS)-5-(4-methylphenyl)-4,6-dioxo-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-3-yl]benzonitrile Traditional Name: 4-[(3S,3aS,6aS)-4,6-diketo-2-phenyl-5-(p-tolyl)-3a,6a-dihydro-3H-pyrrol[3,4-d]isoxazol-3-yl]benzonitrile Formula: C25H19N3O3 MolecularWeight: 409.43666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3C(N(OC3C2=O)C4=CC=CC=C4)C5=CC=C(C=C5)C#N

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)[C@H]3[C@H](N(O[C@@H]3C2=O)C4=CC=CC=C4)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C25H19N3O3/c1-16-7-13-19(14-8-16)27-24(29)21-22(18-11-9-17(15-26)10-12-18)28(31-23(21)25(27)30)20-5-3-2-4-6-20/h2-14,21-23H,1H3/t21-,22+,23-/m0/s1