[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-2-propenoic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)acrylic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C16H14N2O5 MolecularWeight: 314.29276

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)COC(=O)C=CC1=CC2=C(C=C1)OCO2)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC(=O)/C=C/C1=CC2=C(C=C1)OCO2)/N

InChI

InChI=1S/C16H14N2O5/c1-10(18)12(7-17)13(19)8-21-16(20)5-3-11-2-4-14-15(6-11)23-9-22-14/h2-6H,8-9,18H2,1H3/b5-3+,12-10+