(E)-but-2-enedioic acid; 2-(3,6,6-trimethyl-5,7-dihydro-4H-indazol-1-yl)ethanamine

Systemtic Name: (E)-but-2-enedioic acid; 2-(3,6,6-trimethyl-5,7-dihydro-4H-indazol-1-yl)ethanamine Openeye Name: fumaric acid; 2-(3,6,6-trimethyl-5,7-dihydro-4H-indazol-1-yl)ethanamine CAS Name: (E)-2-butenedioic acid; 2-(3,6,6-trimethyl-5,7-dihydro-4H-indazol-1-yl)ethanamine IUPAC Name: (E)-but-2-enedioic acid; 2-(3,6,6-trimethyl-5,7-dihydro-4H-indazol-1-yl)ethanamine Traditional Name: fumaric acid; 2-(3,6,6-trimethyl-5,7-dihydro-4H-indazol-1-yl)ethylamine Formula: C16H25N3O4 MolecularWeight: 323.3874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1CCC(C2)(C)C)CCN.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=NN(C2=C1CCC(C2)(C)C)CCN.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C12H21N3.C4H4O4/c1-9-10-4-5-12(2,3)8-11(10)15(14-9)7-6-13;5-3(6)1-2-4(7)8/h4-8,13H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+