5-(2,6-dimethoxyphenyl)-1-(2-methyl-4-nitro-phenyl)pyrazole-3-carboxylic acid

Systemtic Name: 5-(2,6-dimethoxyphenyl)-1-(2-methyl-4-nitro-phenyl)pyrazole-3-carboxylic acid Openeye Name: 5-(2,6-dimethoxyphenyl)-1-(2-methyl-4-nitro-phenyl)pyrazole-3-carboxylic acid CAS Name: 5-(2,6-dimethoxyphenyl)-1-(2-methyl-4-nitrophenyl)-3-pyrazolecarboxylic acid IUPAC Name: 5-(2,6-dimethoxyphenyl)-1-(2-methyl-4-nitrophenyl)pyrazole-3-carboxylic acid Traditional Name: 5-(2,6-dimethoxyphenyl)-1-(2-methyl-4-nitro-phenyl)pyrazole-3-carboxylic acid Formula: C19H17N3O6 MolecularWeight: 383.35478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])N2C(=CC(=N2)C(=O)O)C3=C(C=CC=C3OC)OC

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])N2C(=CC(=N2)C(=O)O)C3=C(C=CC=C3OC)OC

InChI

InChI=1S/C19H17N3O6/c1-11-9-12(22(25)26)7-8-14(11)21-15(10-13(20-21)19(23)24)18-16(27-2)5-4-6-17(18)28-3/h4-10H,1-3H3,(H,23,24)