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

Systemtic Name: N-[3-(4-chloranyl-3-methyl-phenoxy)-5-nitro-phenyl]-1-ethyl-4-nitro-pyrazole-3-carboxamide Openeye Name: N-[3-(4-chloro-3-methyl-phenoxy)-5-nitro-phenyl]-1-ethyl-4-nitro-pyrazole-3-carboxamide CAS Name: N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]-1-ethyl-4-nitro-3-pyrazolecarboxamide IUPAC Name: N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]-1-ethyl-4-nitropyrazole-3-carboxamide Traditional Name: N-[3-(4-chloro-3-methyl-phenoxy)-5-nitro-phenyl]-1-ethyl-4-nitro-pyrazole-3-carboxamide Formula: C19H16ClN5O6 MolecularWeight: 445.81324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16ClN5O6/c1-3-23-10-17(25(29)30)18(22-23)19(26)21-12-7-13(24(27)28)9-15(8-12)31-14-4-5-16(20)11(2)6-14/h4-10H,3H2,1-2H3,(H,21,26)