ethyl (E)-2-cyano-3-[4-[(4-methyl-2-oxidanidyl-1,2,5-oxadiazol-2-ium-3-yl)methoxy]phenyl]prop-2-enoate

Systemtic Name: ethyl (E)-2-cyano-3-[4-[(4-methyl-2-oxidanidyl-1,2,5-oxadiazol-2-ium-3-yl)methoxy]phenyl]prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-[4-[(4-methyl-2-oxido-1,2,5-oxadiazol-2-ium-3-yl)methoxy]phenyl]prop-2-enoate CAS Name: (E)-2-cyano-3-[4-[(4-methyl-2-oxido-1,2,5-oxadiazol-2-ium-3-yl)methoxy]phenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-[4-[(4-methyl-2-oxido-1,2,5-oxadiazol-2-ium-3-yl)methoxy]phenyl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[4-[(4-methyl-2-oxido-furazan-2-ium-3-yl)methoxy]phenyl]acrylic acid ethyl ester Formula: C16H15N3O5 MolecularWeight: 329.3074

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CC=C(C=C1)OCC2=[N+](ON=C2C)[O-])C#N

Isomeric SMILES

CCOC(=O)/C(=C/C1=CC=C(C=C1)OCC2=[N+](ON=C2C)[O-])/C#N

InChI

InChI=1S/C16H15N3O5/c1-3-22-16(20)13(9-17)8-12-4-6-14(7-5-12)23-10-15-11(2)18-24-19(15)21/h4-8H,3,10H2,1-2H3/b13-8+