(E)-but-2-enedioic acid; 1-(1-methylindazol-3-yl)propan-2-amine

Systemtic Name: (E)-but-2-enedioic acid; 1-(1-methylindazol-3-yl)propan-2-amine Openeye Name: fumaric acid; 1-(1-methylindazol-3-yl)propan-2-amine CAS Name: (E)-2-butenedioic acid; 1-(1-methyl-3-indazolyl)-2-propanamine IUPAC Name: (E)-but-2-enedioic acid; 1-(1-methylindazol-3-yl)propan-2-amine Traditional Name: fumaric acid; [1-methyl-2-(1-methylindazol-3-yl)ethyl]amine Formula: C15H19N3O4 MolecularWeight: 305.32906

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=NN(C2=CC=CC=C21)C)N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(CC1=NN(C2=CC=CC=C21)C)N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C11H15N3.C4H4O4/c1-8(12)7-10-9-5-3-4-6-11(9)14(2)13-10;5-3(6)1-2-4(7)8/h3-6,8H,7,12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+