4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-4-oxidanylidene-but-2-enoate

Systemtic Name: 4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-4-oxidanylidene-but-2-enoate Openeye Name: 4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-4-oxo-but-2-enoate CAS Name: 4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-4-oxo-2-butenoate IUPAC Name: 4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-4-oxobut-2-enoate Traditional Name: 4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-4-keto-but-2-enoate Formula: C13H12NO5- MolecularWeight: 262.23808

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)CNC(=O)C=CC(=O)[O-]

Isomeric SMILES

C1[C@H](OC2=CC=CC=C2O1)CNC(=O)C=CC(=O)[O-]

InChI

InChI=1S/C13H13NO5/c15-12(5-6-13(16)17)14-7-9-8-18-10-3-1-2-4-11(10)19-9/h1-6,9H,7-8H2,(H,14,15)(H,16,17)/p-1/t9-/m1/s1