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

Systemtic Name: (E)-4-[1,3-benzodioxol-5-ylmethyl(propan-2-yl)amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[1,3-benzodioxol-5-ylmethyl(isopropyl)amino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[1,3-benzodioxol-5-ylmethyl(propan-2-yl)amino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[1,3-benzodioxol-5-ylmethyl(propan-2-yl)amino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[isopropyl(piperonyl)amino]-4-keto-but-2-enoic acid Formula: C15H17NO5 MolecularWeight: 291.29918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)N(CC1=CC2=C(C=C1)OCO2)C(=O)/C=C/C(=O)O

InChI

InChI=1S/C15H17NO5/c1-10(2)16(14(17)5-6-15(18)19)8-11-3-4-12-13(7-11)21-9-20-12/h3-7,10H,8-9H2,1-2H3,(H,18,19)/b6-5+