(Z)-but-2-enedioic acid; 5-phenyl-3-(2-pyrrolidin-1-ylethoxy)-1H-pyrazole

Systemtic Name: (Z)-but-2-enedioic acid; 5-phenyl-3-(2-pyrrolidin-1-ylethoxy)-1H-pyrazole Openeye Name: maleic acid; 5-phenyl-3-(2-pyrrolidin-1-ylethoxy)-1H-pyrazole CAS Name: (Z)-2-butenedioic acid; 5-phenyl-3-[2-(1-pyrrolidinyl)ethoxy]-1H-pyrazole IUPAC Name: (Z)-but-2-enedioic acid; 5-phenyl-3-(2-pyrrolidin-1-ylethoxy)-1H-pyrazole Traditional Name: maleic acid; 5-phenyl-3-(2-pyrrolidinoethoxy)-1H-pyrazole Formula: C19H23N3O5 MolecularWeight: 373.40302

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCOC2=NNC(=C2)C3=CC=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CCN(C1)CCOC2=NNC(=C2)C3=CC=CC=C3.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C15H19N3O.C4H4O4/c1-2-6-13(7-3-1)14-12-15(17-16-14)19-11-10-18-8-4-5-9-18;5-3(6)1-2-4(7)8/h1-3,6-7,12H,4-5,8-11H2,(H,16,17);1-2H,(H,5,6)(H,7,8)/b;2-1-