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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N(CC2=CC3=C(C=C2)OCO3)C(=O)C=CC(=O)O

Isomeric SMILES

C1CC1N(CC2=CC3=C(C=C2)OCO3)C(=O)/C=C/C(=O)O

InChI

InChI=1S/C15H15NO5/c17-14(5-6-15(18)19)16(11-2-3-11)8-10-1-4-12-13(7-10)21-9-20-12/h1,4-7,11H,2-3,8-9H2,(H,18,19)/b6-5+