(E)-but-2-enedioic acid; 1-(1-methylindazol-3-yl)propan-1-one

Systemtic Name: (E)-but-2-enedioic acid; 1-(1-methylindazol-3-yl)propan-1-one Openeye Name: fumaric acid; 1-(1-methylindazol-3-yl)propan-1-one CAS Name: (E)-2-butenedioic acid; 1-(1-methyl-3-indazolyl)-1-propanone IUPAC Name: (E)-but-2-enedioic acid; 1-(1-methylindazol-3-yl)propan-1-one Traditional Name: fumaric acid; 1-(1-methylindazol-3-yl)propan-1-one Formula: C15H16N2O5 MolecularWeight: 304.29794

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=NN(C2=CC=CC=C21)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCC(=O)C1=NN(C2=CC=CC=C21)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C11H12N2O.C4H4O4/c1-3-10(14)11-8-6-4-5-7-9(8)13(2)12-11;5-3(6)1-2-4(7)8/h4-7H,3H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+