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

Systemtic Name: 1-(1-adamantyl)-N-(2-hydroxyphenyl)-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-(2-hydroxyphenyl)-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-(2-hydroxyphenyl)-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-(2-hydroxyphenyl)-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-(2-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=C5O)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N4C=C(C(=N4)C(=O)NC5=CC=CC=C5O)[N+](=O)[O-]

InChI

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