(1E)-1-[2-(2-azanylpropyl)-5-methyl-1H-pyrazol-3-ylidene]but-3-en-2-one; (E)-but-2-enedioic acid

Systemtic Name: (1E)-1-[2-(2-azanylpropyl)-5-methyl-1H-pyrazol-3-ylidene]but-3-en-2-one; (E)-but-2-enedioic acid Openeye Name: (1E)-1-[2-(2-aminopropyl)-5-methyl-1H-pyrazol-3-ylidene]but-3-en-2-one; fumaric acid CAS Name: (1E)-1-[2-(2-aminopropyl)-5-methyl-1H-pyrazol-3-ylidene]-3-buten-2-one; (E)-2-butenedioic acid IUPAC Name: (1E)-1-[2-(2-aminopropyl)-5-methyl-1H-pyrazol-3-ylidene]but-3-en-2-one; (E)-but-2-enedioic acid Traditional Name: (1E)-1-[2-(2-aminopropyl)-5-methyl-3-pyrazolin-3-ylidene]but-3-en-2-one; fumaric acid Formula: C15H21N3O5 MolecularWeight: 323.34434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=O)C=C)N(N1)CC(C)N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=C/C(=C\C(=O)C=C)/N(N1)CC(C)N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C11H17N3O.C4H4O4/c1-4-11(15)6-10-5-9(3)13-14(10)7-8(2)12;5-3(6)1-2-4(7)8/h4-6,8,13H,1,7,12H2,2-3H3;1-2H,(H,5,6)(H,7,8)/b10-6+;2-1+