N-(1-adamantyl)-1-[(2-chloranyl-4-nitro-phenoxy)methyl]pyrazole-3-carboxamide

Systemtic Name: N-(1-adamantyl)-1-[(2-chloranyl-4-nitro-phenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-(1-adamantyl)-1-[(2-chloro-4-nitro-phenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-(1-adamantyl)-1-[(2-chloro-4-nitrophenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(1-adamantyl)-1-[(2-chloro-4-nitrophenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-(1-adamantyl)-1-[(2-chloro-4-nitro-phenoxy)methyl]pyrazole-3-carboxamide Formula: C21H23ClN4O4 MolecularWeight: 430.88472

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)C4=NN(C=C4)COC5=C(C=C(C=C5)[N+](=O)[O-])Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)C4=NN(C=C4)COC5=C(C=C(C=C5)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H23ClN4O4/c22-17-8-16(26(28)29)1-2-19(17)30-12-25-4-3-18(24-25)20(27)23-21-9-13-5-14(10-21)7-15(6-13)11-21/h1-4,8,13-15H,5-7,9-12H2,(H,23,27)