4-[[2-methoxy-4-[(E)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]phenoxy]methyl]benzenecarbonitrile

Systemtic Name: 4-[[2-methoxy-4-[(E)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]phenoxy]methyl]benzenecarbonitrile Openeye Name: 4-[[2-methoxy-4-[(E)-2-(3-methyl-4-nitro-isoxazol-5-yl)vinyl]phenoxy]methyl]benzonitrile CAS Name: 4-[[2-methoxy-4-[(E)-2-(3-methyl-4-nitro-5-isoxazolyl)ethenyl]phenoxy]methyl]benzonitrile IUPAC Name: 4-[[2-methoxy-4-[(E)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]phenoxy]methyl]benzonitrile Traditional Name: 4-[[2-methoxy-4-[(E)-2-(3-methyl-4-nitro-isoxazol-5-yl)vinyl]phenoxy]methyl]benzonitrile Formula: C21H17N3O5 MolecularWeight: 391.37678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1[N+](=O)[O-])C=CC2=CC(=C(C=C2)OCC3=CC=C(C=C3)C#N)OC

Isomeric SMILES

CC1=NOC(=C1[N+](=O)[O-])/C=C/C2=CC(=C(C=C2)OCC3=CC=C(C=C3)C#N)OC

InChI

InChI=1S/C21H17N3O5/c1-14-21(24(25)26)19(29-23-14)10-8-15-7-9-18(20(11-15)27-2)28-13-17-5-3-16(12-22)4-6-17/h3-11H,13H2,1-2H3/b10-8+