1-(1-adamantyl)-N-[1-(ethoxymethyl)pyrazol-4-yl]-4-nitro-pyrazole-3-carboxamide

Systemtic Name: 1-(1-adamantyl)-N-[1-(ethoxymethyl)pyrazol-4-yl]-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-[1-(ethoxymethyl)pyrazol-4-yl]-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-[1-(ethoxymethyl)-4-pyrazolyl]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-[1-(ethoxymethyl)pyrazol-4-yl]-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-[1-(ethoxymethyl)pyrazol-4-yl]-4-nitro-pyrazole-3-carboxamide Formula: C20H26N6O4 MolecularWeight: 414.45824

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Descriptors Computed from Structure

Canonical SMILES:

CCOCN1C=C(C=N1)NC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOCN1C=C(C=N1)NC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C20H26N6O4/c1-2-30-12-24-10-16(9-21-24)22-19(27)18-17(26(28)29)11-25(23-18)20-6-13-3-14(7-20)5-15(4-13)8-20/h9-11,13-15H,2-8,12H2,1H3,(H,22,27)