1-(1-adamantyl)-4-nitro-pyrazole-3-carboxylate

Systemtic Name: 1-(1-adamantyl)-4-nitro-pyrazole-3-carboxylate Openeye Name: 1-(1-adamantyl)-4-nitro-pyrazole-3-carboxylate CAS Name: 1-(1-adamantyl)-4-nitro-3-pyrazolecarboxylate IUPAC Name: 1-(1-adamantyl)-4-nitropyrazole-3-carboxylate Traditional Name: 1-(1-adamantyl)-4-nitro-pyrazole-3-carboxylate Formula: C14H16N3O4- MolecularWeight: 290.29454

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N4C=C(C(=N4)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N4C=C(C(=N4)C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H17N3O4/c18-13(19)12-11(17(20)21)7-16(15-12)14-4-8-1-9(5-14)3-10(2-8)6-14/h7-10H,1-6H2,(H,18,19)/p-1