(E)-4-[1,3-benzodioxol-5-ylmethyl(prop-2-enyl)amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[1,3-benzodioxol-5-ylmethyl(prop-2-enyl)amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[allyl(1,3-benzodioxol-5-ylmethyl)amino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[1,3-benzodioxol-5-ylmethyl(prop-2-enyl)amino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[1,3-benzodioxol-5-ylmethyl(prop-2-enyl)amino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[allyl(piperonyl)amino]-4-keto-but-2-enoic acid Formula: C15H15NO5 MolecularWeight: 289.2833

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CC1=CC2=C(C=C1)OCO2)C(=O)C=CC(=O)O

Isomeric SMILES

C=CCN(CC1=CC2=C(C=C1)OCO2)C(=O)/C=C/C(=O)O

InChI

InChI=1S/C15H15NO5/c1-2-7-16(14(17)5-6-15(18)19)9-11-3-4-12-13(8-11)21-10-20-12/h2-6,8H,1,7,9-10H2,(H,18,19)/b6-5+