[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-2-propenoic acid [2-oxo-2-(1H-pyrrol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)acrylic acid [2-keto-2-(1H-pyrrol-2-yl)ethyl] ester Formula: C16H13NO5 MolecularWeight: 299.27812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=CC(=O)OCC(=O)C3=CC=CN3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)OCC(=O)C3=CC=CN3

InChI

InChI=1S/C16H13NO5/c18-13(12-2-1-7-17-12)9-20-16(19)6-4-11-3-5-14-15(8-11)22-10-21-14/h1-8,17H,9-10H2/b6-4+