ethyl (E)-2-cyano-3-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylamino)prop-2-enoate

Systemtic Name: ethyl (E)-2-cyano-3-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylamino)prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylamino)prop-2-enoate CAS Name: (E)-2-cyano-3-(5-spiro[1,3-benzodioxole-2,1'-cyclopentane]ylamino)-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylamino)prop-2-enoate Traditional Name: (E)-2-cyano-3-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylamino)acrylic acid ethyl ester Formula: C17H18N2O4 MolecularWeight: 314.33582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1=CC2=C(C=C1)OC3(O2)CCCC3)C#N

Isomeric SMILES

CCOC(=O)/C(=C/NC1=CC2=C(C=C1)OC3(O2)CCCC3)/C#N

InChI

InChI=1S/C17H18N2O4/c1-2-21-16(20)12(10-18)11-19-13-5-6-14-15(9-13)23-17(22-14)7-3-4-8-17/h5-6,9,11,19H,2-4,7-8H2,1H3/b12-11+