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

Systemtic Name: 1-[(2-chloranyl-4-nitro-phenoxy)methyl]-N-(2-diethylaminoethyl)pyrazole-3-carboxamide Openeye Name: 1-[(2-chloro-4-nitro-phenoxy)methyl]-N-(2-diethylaminoethyl)pyrazole-3-carboxamide CAS Name: 1-[(2-chloro-4-nitrophenoxy)methyl]-N-(2-diethylaminoethyl)-3-pyrazolecarboxamide IUPAC Name: 1-[(2-chloro-4-nitrophenoxy)methyl]-N-(2-diethylaminoethyl)pyrazole-3-carboxamide Traditional Name: 1-[(2-chloro-4-nitro-phenoxy)methyl]-N-(2-diethylaminoethyl)pyrazole-3-carboxamide Formula: C17H22ClN5O4 MolecularWeight: 395.84068

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=O)C1=NN(C=C1)COC2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CCN(CC)CCNC(=O)C1=NN(C=C1)COC2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H22ClN5O4/c1-3-21(4-2)10-8-19-17(24)15-7-9-22(20-15)12-27-16-6-5-13(23(25)26)11-14(16)18/h5-7,9,11H,3-4,8,10,12H2,1-2H3,(H,19,24)