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

Systemtic Name: 1-(1-adamantyl)-N-(2-methoxy-4-nitro-phenyl)-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-(2-methoxy-4-nitro-phenyl)-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-(2-methoxy-4-nitrophenyl)-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-(2-methoxy-4-nitrophenyl)-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-(2-methoxy-4-nitro-phenyl)-4-nitro-pyrazole-3-carboxamide Formula: C21H23N5O6 MolecularWeight: 441.43722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O6/c1-32-18-7-15(25(28)29)2-3-16(18)22-20(27)19-17(26(30)31)11-24(23-19)21-8-12-4-13(9-21)6-14(5-12)10-21/h2-3,7,11-14H,4-6,8-10H2,1H3,(H,22,27)