(E)-4-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)amino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)amino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)amino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)amino]-4-keto-but-2-enoic acid Formula: C16H17NO5 MolecularWeight: 303.30988

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N(CC2=CC3=C(C=C2)OCCO3)C(=O)C=CC(=O)O

Isomeric SMILES

C1CC1N(CC2=CC3=C(C=C2)OCCO3)C(=O)/C=C/C(=O)O

InChI

InChI=1S/C16H17NO5/c18-15(5-6-16(19)20)17(12-2-3-12)10-11-1-4-13-14(9-11)22-8-7-21-13/h1,4-6,9,12H,2-3,7-8,10H2,(H,19,20)/b6-5+