(E)-but-2-enedioic acid; 1-isocyanatoethyl 2-methylprop-2-enoate

Systemtic Name: (E)-but-2-enedioic acid; 1-isocyanatoethyl 2-methylprop-2-enoate Openeye Name: fumaric acid; 1-isocyanatoethyl 2-methylprop-2-enoate CAS Name: (E)-2-butenedioic acid; 2-methyl-2-propenoic acid 1-isocyanatoethyl ester IUPAC Name: (E)-but-2-enedioic acid; 1-isocyanatoethyl 2-methylprop-2-enoate Traditional Name: fumaric acid; 2-methylacrylic acid 1-isocyanatoethyl ester Formula: C11H13NO7 MolecularWeight: 271.22342

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Descriptors Computed from Structure

Canonical SMILES:

CC(N=C=O)OC(=O)C(=C)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(N=C=O)OC(=O)C(=C)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C7H9NO3.C4H4O4/c1-5(2)7(10)11-6(3)8-4-9;5-3(6)1-2-4(7)8/h6H,1H2,2-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+