1-(1-adamantyl)-N-(4-chloranyl-2,5-dimethoxy-phenyl)-4-nitro-pyrazole-3-carboxamide

Systemtic Name: 1-(1-adamantyl)-N-(4-chloranyl-2,5-dimethoxy-phenyl)-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-(4-chloro-2,5-dimethoxy-phenyl)-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-(4-chloro-2,5-dimethoxyphenyl)-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-(4-chloro-2,5-dimethoxyphenyl)-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-(4-chloro-2,5-dimethoxy-phenyl)-4-nitro-pyrazole-3-carboxamide Formula: C22H25ClN4O5 MolecularWeight: 460.9107

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4)OC)Cl

InChI

InChI=1S/C22H25ClN4O5/c1-31-18-7-16(19(32-2)6-15(18)23)24-21(28)20-17(27(29)30)11-26(25-20)22-8-12-3-13(9-22)5-14(4-12)10-22/h6-7,11-14H,3-5,8-10H2,1-2H3,(H,24,28)