methyl (E)-4-[1,3,3-tris(oxidanyl)butylamino]but-2-enoate

Systemtic Name: methyl (E)-4-[1,3,3-tris(oxidanyl)butylamino]but-2-enoate Openeye Name: methyl (E)-4-(1,3,3-trihydroxybutylamino)but-2-enoate CAS Name: (E)-4-(1,3,3-trihydroxybutylamino)-2-butenoic acid methyl ester IUPAC Name: methyl (E)-4-(1,3,3-trihydroxybutylamino)but-2-enoate Traditional Name: (E)-4-(1,3,3-trihydroxybutylamino)but-2-enoic acid methyl ester Formula: C9H17NO5 MolecularWeight: 219.23498

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(NCC=CC(=O)OC)O)(O)O

Isomeric SMILES

CC(CC(NC/C=C/C(=O)OC)O)(O)O

InChI

InChI=1S/C9H17NO5/c1-9(13,14)6-7(11)10-5-3-4-8(12)15-2/h3-4,7,10-11,13-14H,5-6H2,1-2H3/b4-3+