(E)-but-2-enedioic acid; (2S)-1-(6-chloranyl-5-fluoranyl-3-methyl-indazol-1-yl)propan-2-amine

Systemtic Name: (E)-but-2-enedioic acid; (2S)-1-(6-chloranyl-5-fluoranyl-3-methyl-indazol-1-yl)propan-2-amine Openeye Name: (2S)-1-(6-chloro-5-fluoro-3-methyl-indazol-1-yl)propan-2-amine; fumaric acid CAS Name: (E)-2-butenedioic acid; (2S)-1-(6-chloro-5-fluoro-3-methyl-1-indazolyl)-2-propanamine IUPAC Name: (E)-but-2-enedioic acid; (2S)-1-(6-chloro-5-fluoro-3-methylindazol-1-yl)propan-2-amine Traditional Name: [(1S)-2-(6-chloro-5-fluoro-3-methyl-indazol-1-yl)-1-methyl-ethyl]amine; fumaric acid Formula: C15H17ClFN3O4 MolecularWeight: 357.764583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=CC(=C(C=C12)F)Cl)CC(C)N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=NN(C2=CC(=C(C=C12)F)Cl)C[C@H](C)N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C11H13ClFN3.C4H4O4/c1-6(14)5-16-11-4-9(12)10(13)3-8(11)7(2)15-16;5-3(6)1-2-4(7)8/h3-4,6H,5,14H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t6-;/m0./s1