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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(N1CCCC1)OC2=NNC(=C2)C3=CC=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(N1CCCC1)OC2=NNC(=C2)C3=CC=CC=C3.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C15H19N3O.C4H4O4/c1-12(18-9-5-6-10-18)19-15-11-14(16-17-15)13-7-3-2-4-8-13;5-3(6)1-2-4(7)8/h2-4,7-8,11-12H,5-6,9-10H2,1H3,(H,16,17);1-2H,(H,5,6)(H,7,8)/b;2-1-