1-(1-adamantyl)-N-(4-methyl-3,5-dinitro-phenyl)-4-nitro-pyrazole-3-carboxamide

Systemtic Name: 1-(1-adamantyl)-N-(4-methyl-3,5-dinitro-phenyl)-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-(4-methyl-3,5-dinitro-phenyl)-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-(4-methyl-3,5-dinitrophenyl)-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-(4-methyl-3,5-dinitrophenyl)-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-(4-methyl-3,5-dinitro-phenyl)-4-nitro-pyrazole-3-carboxamide Formula: C21H22N6O7 MolecularWeight: 470.43538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N6O7/c1-11-16(25(29)30)5-15(6-17(11)26(31)32)22-20(28)19-18(27(33)34)10-24(23-19)21-7-12-2-13(8-21)4-14(3-12)9-21/h5-6,10,12-14H,2-4,7-9H2,1H3,(H,22,28)