(2S)-1-(6-bromanyl-3-ethyl-indazol-1-yl)propan-2-amine; (E)-but-2-enedioic acid

Systemtic Name: (2S)-1-(6-bromanyl-3-ethyl-indazol-1-yl)propan-2-amine; (E)-but-2-enedioic acid Openeye Name: (2S)-1-(6-bromo-3-ethyl-indazol-1-yl)propan-2-amine; fumaric acid CAS Name: (2S)-1-(6-bromo-3-ethyl-1-indazolyl)-2-propanamine; (E)-2-butenedioic acid IUPAC Name: (2S)-1-(6-bromo-3-ethylindazol-1-yl)propan-2-amine; (E)-but-2-enedioic acid Traditional Name: [(1S)-2-(6-bromo-3-ethyl-indazol-1-yl)-1-methyl-ethyl]amine; fumaric acid Formula: C16H20BrN3O4 MolecularWeight: 398.2517

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C2=C1C=CC(=C2)Br)CC(C)N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCC1=NN(C2=C1C=CC(=C2)Br)C[C@H](C)N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C12H16BrN3.C4H4O4/c1-3-11-10-5-4-9(13)6-12(10)16(15-11)7-8(2)14;5-3(6)1-2-4(7)8/h4-6,8H,3,7,14H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t8-;/m0./s1