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

Systemtic Name: 1-(1-adamantyl)-N-(3-methoxy-5-nitro-phenyl)-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-(3-methoxy-5-nitro-phenyl)-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-(3-methoxy-5-nitrophenyl)-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-(3-methoxy-5-nitrophenyl)-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-(3-methoxy-5-nitro-phenyl)-4-nitro-pyrazole-3-carboxamide Formula: C21H23N5O6 MolecularWeight: 441.43722

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H23N5O6/c1-32-17-6-15(5-16(7-17)25(28)29)22-20(27)19-18(26(30)31)11-24(23-19)21-8-12-2-13(9-21)4-14(3-12)10-21/h5-7,11-14H,2-4,8-10H2,1H3,(H,22,27)