5-(2,6-dimethoxyphenyl)-1-(4-nitro-5,6,7,8-tetrahydronaphthalen-1-yl)pyrazole-3-carboxylic acid

Systemtic Name: 5-(2,6-dimethoxyphenyl)-1-(4-nitro-5,6,7,8-tetrahydronaphthalen-1-yl)pyrazole-3-carboxylic acid Openeye Name: 5-(2,6-dimethoxyphenyl)-1-(8-nitrotetralin-5-yl)pyrazole-3-carboxylic acid CAS Name: 5-(2,6-dimethoxyphenyl)-1-(4-nitro-5,6,7,8-tetrahydronaphthalen-1-yl)-3-pyrazolecarboxylic acid IUPAC Name: 5-(2,6-dimethoxyphenyl)-1-(4-nitro-5,6,7,8-tetrahydronaphthalen-1-yl)pyrazole-3-carboxylic acid Traditional Name: 5-(2,6-dimethoxyphenyl)-1-(8-nitrotetralin-5-yl)pyrazole-3-carboxylic acid Formula: C22H21N3O6 MolecularWeight: 423.41864

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C2=CC(=NN2C3=C4CCCCC4=C(C=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C2=CC(=NN2C3=C4CCCCC4=C(C=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C22H21N3O6/c1-30-19-8-5-9-20(31-2)21(19)18-12-15(22(26)27)23-24(18)16-10-11-17(25(28)29)14-7-4-3-6-13(14)16/h5,8-12H,3-4,6-7H2,1-2H3,(H,26,27)