N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-1-methyl-4-nitro-pyrazole-3-carboxamide

Systemtic Name: N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-1-methyl-4-nitro-pyrazole-3-carboxamide Openeye Name: N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-1-methyl-4-nitro-pyrazole-3-carboxamide CAS Name: N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-1-methyl-4-nitro-3-pyrazolecarboxamide IUPAC Name: N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-1-methyl-4-nitropyrazole-3-carboxamide Traditional Name: N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-1-methyl-4-nitro-pyrazole-3-carboxamide Formula: C13H20N4O3 MolecularWeight: 280.3229

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)C2=NN(C=C2[N+](=O)[O-])C

Isomeric SMILES

C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)C2=NN(C=C2[N+](=O)[O-])C

InChI

InChI=1S/C13H20N4O3/c1-8-5-4-6-10(9(8)2)14-13(18)12-11(17(19)20)7-16(3)15-12/h7-10H,4-6H2,1-3H3,(H,14,18)/t8-,9+,10+/m0/s1