3-[(2,3,4-trimethoxyphenyl)methylamino]-1H-pyrazole-5-carboxylate

Systemtic Name: 3-[(2,3,4-trimethoxyphenyl)methylamino]-1H-pyrazole-5-carboxylate Openeye Name: 3-[(2,3,4-trimethoxyphenyl)methylamino]-1H-pyrazole-5-carboxylate CAS Name: 3-[(2,3,4-trimethoxyphenyl)methylamino]-1H-pyrazole-5-carboxylate IUPAC Name: 3-[(2,3,4-trimethoxyphenyl)methylamino]-1H-pyrazole-5-carboxylate Traditional Name: 3-[(2,3,4-trimethoxybenzyl)amino]-1H-pyrazole-5-carboxylate Formula: C14H16N3O5- MolecularWeight: 306.29394

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CNC2=NNC(=C2)C(=O)[O-])OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)CNC2=NNC(=C2)C(=O)[O-])OC)OC

InChI

InChI=1S/C14H17N3O5/c1-20-10-5-4-8(12(21-2)13(10)22-3)7-15-11-6-9(14(18)19)16-17-11/h4-6H,7H2,1-3H3,(H,18,19)(H2,15,16,17)/p-1