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(E)-but-2-enedioic acid; 2-propoxypyridine-3-carboximidoyl chloride

(E)-but-2-enedioic acid; 2-propoxypyridine-3-carboximidoyl chloride

Systemtic Name:(E)-but-2-enedioic acid; 2-propoxypyridine-3-carboximidoyl chloride
Openeye Name:fumaric acid; 2-propoxypyridine-3-carboximidoyl chloride
CAS Name:(E)-2-butenedioic acid; 2-propoxy-3-pyridinecarboximidoyl chloride
IUPAC Name:(E)-but-2-enedioic acid; 2-propoxypyridine-3-carboximidoyl chloride
Traditional Name:fumaric acid; 2-propoxynicotinimidoyl chloride
Formula: C13H15ClN2O5
MolecularWeight: 314.7216
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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=CC=N1)C(=N)Cl.C(=CC(=O)O)C(=O)O


Isomeric SMILES

CCCOC1=C(C=CC=N1)C(=N)Cl.C(=C/C(=O)O)\C(=O)O


InChI

InChI=1S/C9H11ClN2O.C4H4O4/c1-2-6-13-9-7(8(10)11)4-3-5-12-9;5-3(6)1-2-4(7)8/h3-5,11H,2,6H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+


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