1-(1-adamantyl)-N-(2-methoxy-5-methyl-phenyl)-4-nitro-pyrazole-3-carboxamide

Systemtic Name: 1-(1-adamantyl)-N-(2-methoxy-5-methyl-phenyl)-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-(2-methoxy-5-methyl-phenyl)-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-(2-methoxy-5-methylphenyl)-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-(2-methoxy-5-methylphenyl)-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-(2-methoxy-5-methyl-phenyl)-4-nitro-pyrazole-3-carboxamide Formula: C22H26N4O4 MolecularWeight: 410.46624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H26N4O4/c1-13-3-4-19(30-2)17(5-13)23-21(27)20-18(26(28)29)12-25(24-20)22-9-14-6-15(10-22)8-16(7-14)11-22/h3-5,12,14-16H,6-11H2,1-2H3,(H,23,27)