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

Systemtic Name: (E)-but-2-enedioic acid; 1-(5-methoxy-8-methyl-8H-indeno[2,1-c]pyrazol-3-yl)propan-2-amine Openeye Name: fumaric acid; 1-(5-methoxy-8-methyl-8H-indeno[2,1-c]pyrazol-3-yl)propan-2-amine CAS Name: (E)-2-butenedioic acid; 1-(5-methoxy-8-methyl-8H-indeno[2,1-c]pyrazol-3-yl)-2-propanamine IUPAC Name: (E)-but-2-enedioic acid; 1-(5-methoxy-8-methyl-8H-indeno[2,1-c]pyrazol-3-yl)propan-2-amine Traditional Name: fumaric acid; [2-(5-methoxy-8-methyl-8H-indeno[2,1-c]pyrazol-3-yl)-1-methyl-ethyl]amine Formula: C19H23N3O5 MolecularWeight: 373.40302

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=CC(=C2C1=C3C=NN(C3=C2)CC(C)N)OC.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1C=CC(=C2C1=C3C=NN(C3=C2)CC(C)N)OC.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C15H19N3O.C4H4O4/c1-9-4-5-14(19-3)11-6-13-12(15(9)11)7-17-18(13)8-10(2)16;5-3(6)1-2-4(7)8/h4-7,9-10H,8,16H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+