5-(2-morpholin-4-ylethoxy)-1-[4-(2-nitrophenyl)phenyl]pyrazole-4-carboxylic acid

Systemtic Name: 5-(2-morpholin-4-ylethoxy)-1-[4-(2-nitrophenyl)phenyl]pyrazole-4-carboxylic acid Openeye Name: 5-(2-morpholinoethoxy)-1-[4-(2-nitrophenyl)phenyl]pyrazole-4-carboxylic acid CAS Name: 5-[2-(4-morpholinyl)ethoxy]-1-[4-(2-nitrophenyl)phenyl]-4-pyrazolecarboxylic acid IUPAC Name: 5-(2-morpholin-4-ylethoxy)-1-[4-(2-nitrophenyl)phenyl]pyrazole-4-carboxylic acid Traditional Name: 5-(2-morpholinoethoxy)-1-[4-(2-nitrophenyl)phenyl]pyrazole-4-carboxylic acid Formula: C22H22N4O6 MolecularWeight: 438.43328

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCOC2=C(C=NN2C3=CC=C(C=C3)C4=CC=CC=C4[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1COCCN1CCOC2=C(C=NN2C3=CC=C(C=C3)C4=CC=CC=C4[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C22H22N4O6/c27-22(28)19-15-23-25(21(19)32-14-11-24-9-12-31-13-10-24)17-7-5-16(6-8-17)18-3-1-2-4-20(18)26(29)30/h1-8,15H,9-14H2,(H,27,28)