1-methyl-4-[(2,4,5-trimethoxyphenyl)methylamino]pyrazole-3-carboxylic acid

Systemtic Name: 1-methyl-4-[(2,4,5-trimethoxyphenyl)methylamino]pyrazole-3-carboxylic acid Openeye Name: 1-methyl-4-[(2,4,5-trimethoxyphenyl)methylamino]pyrazole-3-carboxylic acid CAS Name: 1-methyl-4-[(2,4,5-trimethoxyphenyl)methylamino]-3-pyrazolecarboxylic acid IUPAC Name: 1-methyl-4-[(2,4,5-trimethoxyphenyl)methylamino]pyrazole-3-carboxylic acid Traditional Name: 1-methyl-4-[(2,4,5-trimethoxybenzyl)amino]pyrazole-3-carboxylic acid Formula: C15H19N3O5 MolecularWeight: 321.32846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)O)NCC2=CC(=C(C=C2OC)OC)OC

Isomeric SMILES

CN1C=C(C(=N1)C(=O)O)NCC2=CC(=C(C=C2OC)OC)OC

InChI

InChI=1S/C15H19N3O5/c1-18-8-10(14(17-18)15(19)20)16-7-9-5-12(22-3)13(23-4)6-11(9)21-2/h5-6,8,16H,7H2,1-4H3,(H,19,20)