2-[[5-(2,6-dimethoxyphenyl)-1-(2-methyl-4-nitro-phenyl)pyrazol-3-yl]carbonylamino]adamantane-2-carboxylic acid

Systemtic Name: 2-[[5-(2,6-dimethoxyphenyl)-1-(2-methyl-4-nitro-phenyl)pyrazol-3-yl]carbonylamino]adamantane-2-carboxylic acid Openeye Name: 2-[[5-(2,6-dimethoxyphenyl)-1-(2-methyl-4-nitro-phenyl)pyrazole-3-carbonyl]amino]adamantane-2-carboxylic acid CAS Name: 2-[[[5-(2,6-dimethoxyphenyl)-1-(2-methyl-4-nitrophenyl)-3-pyrazolyl]-oxomethyl]amino]-2-adamantanecarboxylic acid IUPAC Name: 2-[[5-(2,6-dimethoxyphenyl)-1-(2-methyl-4-nitrophenyl)pyrazole-3-carbonyl]amino]adamantane-2-carboxylic acid Traditional Name: 2-[[5-(2,6-dimethoxyphenyl)-1-(2-methyl-4-nitro-phenyl)pyrazole-3-carbonyl]amino]adamantane-2-carboxylic acid Formula: C30H32N4O7 MolecularWeight: 560.59768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])N2C(=CC(=N2)C(=O)NC3(C4CC5CC(C4)CC3C5)C(=O)O)C6=C(C=CC=C6OC)OC

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])N2C(=CC(=N2)C(=O)NC3(C4CC5CC(C4)CC3C5)C(=O)O)C6=C(C=CC=C6OC)OC

InChI

InChI=1S/C30H32N4O7/c1-16-9-21(34(38)39)7-8-23(16)33-24(27-25(40-2)5-4-6-26(27)41-3)15-22(32-33)28(35)31-30(29(36)37)19-11-17-10-18(13-19)14-20(30)12-17/h4-9,15,17-20H,10-14H2,1-3H3,(H,31,35)(H,36,37)