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

Systemtic Name: 1-[(2-chloranyl-4-nitro-phenoxy)methyl]-N-[3-(dimethylamino)propyl]pyrazole-3-carboxamide Openeye Name: 1-[(2-chloro-4-nitro-phenoxy)methyl]-N-[3-(dimethylamino)propyl]pyrazole-3-carboxamide CAS Name: 1-[(2-chloro-4-nitrophenoxy)methyl]-N-[3-(dimethylamino)propyl]-3-pyrazolecarboxamide IUPAC Name: 1-[(2-chloro-4-nitrophenoxy)methyl]-N-[3-(dimethylamino)propyl]pyrazole-3-carboxamide Traditional Name: 1-[(2-chloro-4-nitro-phenoxy)methyl]-N-[3-(dimethylamino)propyl]pyrazole-3-carboxamide Formula: C16H20ClN5O4 MolecularWeight: 381.8141

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNC(=O)C1=NN(C=C1)COC2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CN(C)CCCNC(=O)C1=NN(C=C1)COC2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H20ClN5O4/c1-20(2)8-3-7-18-16(23)14-6-9-21(19-14)11-26-15-5-4-12(22(24)25)10-13(15)17/h4-6,9-10H,3,7-8,11H2,1-2H3,(H,18,23)