(E)-2-(1-isocyanatoethyl)but-2-enoic acid

Systemtic Name: (E)-2-(1-isocyanatoethyl)but-2-enoic acid Openeye Name: (E)-2-(1-isocyanatoethyl)but-2-enoic acid CAS Name: (E)-2-(1-isocyanatoethyl)-2-butenoic acid IUPAC Name: (E)-2-(1-isocyanatoethyl)but-2-enoic acid Traditional Name: (E)-2-(1-isocyanatoethyl)but-2-enoic acid Formula: C7H9NO3 MolecularWeight: 155.15126

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(C(C)N=C=O)C(=O)O

Isomeric SMILES

C/C=C(\C(C)N=C=O)/C(=O)O

InChI

InChI=1S/C7H9NO3/c1-3-6(7(10)11)5(2)8-4-9/h3,5H,1-2H3,(H,10,11)/b6-3+