(E)-but-2-enedioic acid; 1-(5-methyl-8H-indeno[2,1-c]pyrazol-3-yl)propan-2-amine

Systemtic Name: (E)-but-2-enedioic acid; 1-(5-methyl-8H-indeno[2,1-c]pyrazol-3-yl)propan-2-amine Openeye Name: fumaric acid; 1-(5-methyl-8H-indeno[2,1-c]pyrazol-3-yl)propan-2-amine CAS Name: (E)-2-butenedioic acid; 1-(5-methyl-8H-indeno[2,1-c]pyrazol-3-yl)-2-propanamine IUPAC Name: (E)-but-2-enedioic acid; 1-(5-methyl-8H-indeno[2,1-c]pyrazol-3-yl)propan-2-amine Traditional Name: fumaric acid; [1-methyl-2-(5-methyl-8H-indeno[2,1-c]pyrazol-3-yl)ethyl]amine Formula: C18H21N3O4 MolecularWeight: 343.37704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C3C(=C2CC=C1)C=NN3CC(C)N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=C2C=C3C(=C2CC=C1)C=NN3CC(C)N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H17N3.C4H4O4/c1-9-4-3-5-11-12(9)6-14-13(11)7-16-17(14)8-10(2)15;5-3(6)1-2-4(7)8/h3-4,6-7,10H,5,8,15H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+