ethyl (1E)-N-[2-[3-(1,3-benzodioxol-5-yl)propyl]-4-cyano-pyrazol-3-yl]methanimidate

Systemtic Name: ethyl (1E)-N-[2-[3-(1,3-benzodioxol-5-yl)propyl]-4-cyano-pyrazol-3-yl]methanimidate Openeye Name: ethyl (1E)-N-[2-[3-(1,3-benzodioxol-5-yl)propyl]-4-cyano-pyrazol-3-yl]methanimidate CAS Name: (1E)-N-[2-[3-(1,3-benzodioxol-5-yl)propyl]-4-cyano-3-pyrazolyl]methanimidic acid ethyl ester IUPAC Name: ethyl (1E)-N-[2-[3-(1,3-benzodioxol-5-yl)propyl]-4-cyanopyrazol-3-yl]methanimidate Traditional Name: (1E)-N-[2-[3-(1,3-benzodioxol-5-yl)propyl]-4-cyano-pyrazol-3-yl]formimidic acid ethyl ester Formula: C17H18N4O3 MolecularWeight: 326.34982

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Descriptors Computed from Structure

Canonical SMILES:

CCOC=NC1=C(C=NN1CCCC2=CC3=C(C=C2)OCO3)C#N

Isomeric SMILES

CCO/C=N/C1=C(C=NN1CCCC2=CC3=C(C=C2)OCO3)C#N

InChI

InChI=1S/C17H18N4O3/c1-2-22-11-19-17-14(9-18)10-20-21(17)7-3-4-13-5-6-15-16(8-13)24-12-23-15/h5-6,8,10-11H,2-4,7,12H2,1H3/b19-11+