1-(1-adamantyl)-N-[3-(2-methoxyphenoxy)-5-nitro-phenyl]-4-nitro-pyrazole-3-carboxamide

Systemtic Name: 1-(1-adamantyl)-N-[3-(2-methoxyphenoxy)-5-nitro-phenyl]-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-[3-(2-methoxyphenoxy)-5-nitro-phenyl]-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-[3-(2-methoxyphenoxy)-5-nitrophenyl]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-[3-(2-methoxyphenoxy)-5-nitrophenyl]-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-[3-(2-methoxyphenoxy)-5-nitro-phenyl]-4-nitro-pyrazole-3-carboxamide Formula: C27H27N5O7 MolecularWeight: 533.53258

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=NN(C=C3[N+](=O)[O-])C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC1=CC=CC=C1OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=NN(C=C3[N+](=O)[O-])C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H27N5O7/c1-38-23-4-2-3-5-24(23)39-21-10-19(9-20(11-21)31(34)35)28-26(33)25-22(32(36)37)15-30(29-25)27-12-16-6-17(13-27)8-18(7-16)14-27/h2-5,9-11,15-18H,6-8,12-14H2,1H3,(H,28,33)