(E)-but-2-enedioic acid; 2-pyrazolo[4,3-h]quinolin-1-ylethanamine

Systemtic Name: (E)-but-2-enedioic acid; 2-pyrazolo[4,3-h]quinolin-1-ylethanamine Openeye Name: fumaric acid; 2-pyrazolo[4,3-h]quinolin-1-ylethanamine CAS Name: (E)-2-butenedioic acid; 2-(1-pyrazolo[4,3-h]quinolinyl)ethanamine IUPAC Name: (E)-but-2-enedioic acid; 2-pyrazolo[4,3-h]quinolin-1-ylethanamine Traditional Name: fumaric acid; 2-pyrazolo[4,3-h]quinolin-1-ylethylamine Formula: C16H16N4O4 MolecularWeight: 328.32264

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C3=C(C=C2)C=NN3CCN)N=C1.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC2=C(C3=C(C=C2)C=NN3CCN)N=C1.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C12H12N4.C4H4O4/c13-5-7-16-12-10(8-15-16)4-3-9-2-1-6-14-11(9)12;5-3(6)1-2-4(7)8/h1-4,6,8H,5,7,13H2;1-2H,(H,5,6)(H,7,8)/b;2-1+