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

Systemtic Name: 1-[(2-chloranyl-4-nitro-phenoxy)methyl]-N-cycloheptyl-pyrazole-3-carboxamide Openeye Name: 1-[(2-chloro-4-nitro-phenoxy)methyl]-N-cycloheptyl-pyrazole-3-carboxamide CAS Name: 1-[(2-chloro-4-nitrophenoxy)methyl]-N-cycloheptyl-3-pyrazolecarboxamide IUPAC Name: 1-[(2-chloro-4-nitrophenoxy)methyl]-N-cycloheptylpyrazole-3-carboxamide Traditional Name: 1-[(2-chloro-4-nitro-phenoxy)methyl]-N-cycloheptyl-pyrazole-3-carboxamide Formula: C18H21ClN4O4 MolecularWeight: 392.83674

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)C2=NN(C=C2)COC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1CCCC(CC1)NC(=O)C2=NN(C=C2)COC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H21ClN4O4/c19-15-11-14(23(25)26)7-8-17(15)27-12-22-10-9-16(21-22)18(24)20-13-5-3-1-2-4-6-13/h7-11,13H,1-6,12H2,(H,20,24)