N-[3-[2,4-bis(chloranyl)phenoxy]-5-nitro-phenyl]-1-ethyl-4-nitro-pyrazole-3-carboxamide

Systemtic Name: N-[3-[2,4-bis(chloranyl)phenoxy]-5-nitro-phenyl]-1-ethyl-4-nitro-pyrazole-3-carboxamide Openeye Name: N-[3-(2,4-dichlorophenoxy)-5-nitro-phenyl]-1-ethyl-4-nitro-pyrazole-3-carboxamide CAS Name: N-[3-(2,4-dichlorophenoxy)-5-nitrophenyl]-1-ethyl-4-nitro-3-pyrazolecarboxamide IUPAC Name: N-[3-(2,4-dichlorophenoxy)-5-nitrophenyl]-1-ethyl-4-nitropyrazole-3-carboxamide Traditional Name: N-[3-(2,4-dichlorophenoxy)-5-nitro-phenyl]-1-ethyl-4-nitro-pyrazole-3-carboxamide Formula: C18H13Cl2N5O6 MolecularWeight: 466.23172

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)NC2=CC(=CC(=C2)OC3=C(C=C(C=C3)Cl)Cl)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)NC2=CC(=CC(=C2)OC3=C(C=C(C=C3)Cl)Cl)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H13Cl2N5O6/c1-2-23-9-15(25(29)30)17(22-23)18(26)21-11-6-12(24(27)28)8-13(7-11)31-16-4-3-10(19)5-14(16)20/h3-9H,2H2,1H3,(H,21,26)