1-(1-adamantyl)-N-(3-hydroxyphenyl)-4-nitro-pyrazole-3-carboxamide

Systemtic Name: 1-(1-adamantyl)-N-(3-hydroxyphenyl)-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-(3-hydroxyphenyl)-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-(3-hydroxyphenyl)-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-(3-hydroxyphenyl)-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-(3-hydroxyphenyl)-4-nitro-pyrazole-3-carboxamide Formula: C20H22N4O4 MolecularWeight: 382.41308

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N4C=C(C(=N4)C(=O)NC5=CC(=CC=C5)O)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N4C=C(C(=N4)C(=O)NC5=CC(=CC=C5)O)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O4/c25-16-3-1-2-15(7-16)21-19(26)18-17(24(27)28)11-23(22-18)20-8-12-4-13(9-20)6-14(5-12)10-20/h1-3,7,11-14,25H,4-6,8-10H2,(H,21,26)