(E)-but-2-enedioic acid; 1-pyrazolo[3,4-e][1,3]benzoxazol-1-ylpropan-2-amine

Systemtic Name: (E)-but-2-enedioic acid; 1-pyrazolo[3,4-e][1,3]benzoxazol-1-ylpropan-2-amine Openeye Name: fumaric acid; 1-pyrazolo[3,4-e][1,3]benzoxazol-1-ylpropan-2-amine CAS Name: (E)-2-butenedioic acid; 1-(1-pyrazolo[3,4-e][1,3]benzoxazolyl)-2-propanamine IUPAC Name: (E)-but-2-enedioic acid; 1-pyrazolo[3,4-e][1,3]benzoxazol-1-ylpropan-2-amine Traditional Name: fumaric acid; (1-methyl-2-pyrazolo[3,4-e][1,3]benzoxazol-1-yl-ethyl)amine Formula: C15H16N4O5 MolecularWeight: 332.31134

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C2=C(C=CC3=C2N=CO3)C=N1)N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(CN1C2=C(C=CC3=C2N=CO3)C=N1)N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C11H12N4O.C4H4O4/c1-7(12)5-15-11-8(4-14-15)2-3-9-10(11)13-6-16-9;5-3(6)1-2-4(7)8/h2-4,6-7H,5,12H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+