2-ethyl-4-[(3-methoxy-4-oxidanyl-phenyl)methylamino]pyrazole-3-carboxylic acid

Systemtic Name: 2-ethyl-4-[(3-methoxy-4-oxidanyl-phenyl)methylamino]pyrazole-3-carboxylic acid Openeye Name: 2-ethyl-4-[(4-hydroxy-3-methoxy-phenyl)methylamino]pyrazole-3-carboxylic acid CAS Name: 2-ethyl-4-[(4-hydroxy-3-methoxyphenyl)methylamino]-3-pyrazolecarboxylic acid IUPAC Name: 2-ethyl-4-[(4-hydroxy-3-methoxyphenyl)methylamino]pyrazole-3-carboxylic acid Traditional Name: 2-ethyl-4-(vanillylamino)pyrazole-3-carboxylic acid Formula: C14H17N3O4 MolecularWeight: 291.30248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)NCC2=CC(=C(C=C2)O)OC)C(=O)O

Isomeric SMILES

CCN1C(=C(C=N1)NCC2=CC(=C(C=C2)O)OC)C(=O)O

InChI

InChI=1S/C14H17N3O4/c1-3-17-13(14(19)20)10(8-16-17)15-7-9-4-5-11(18)12(6-9)21-2/h4-6,8,15,18H,3,7H2,1-2H3,(H,19,20)