2-[(2-chloranylphenoxy)methyl]-N-(2-cyano-4-nitro-phenyl)pyrazole-3-carboxamide

Systemtic Name: 2-[(2-chloranylphenoxy)methyl]-N-(2-cyano-4-nitro-phenyl)pyrazole-3-carboxamide Openeye Name: 2-[(2-chlorophenoxy)methyl]-N-(2-cyano-4-nitro-phenyl)pyrazole-3-carboxamide CAS Name: 2-[(2-chlorophenoxy)methyl]-N-(2-cyano-4-nitrophenyl)-3-pyrazolecarboxamide IUPAC Name: 2-[(2-chlorophenoxy)methyl]-N-(2-cyano-4-nitrophenyl)pyrazole-3-carboxamide Traditional Name: 2-[(2-chlorophenoxy)methyl]-N-(2-cyano-4-nitro-phenyl)pyrazole-3-carboxamide Formula: C18H12ClN5O4 MolecularWeight: 397.77198

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)OCN2C(=CC=N2)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N)Cl

Isomeric SMILES

C1=CC=C(C(=C1)OCN2C(=CC=N2)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N)Cl

InChI

InChI=1S/C18H12ClN5O4/c19-14-3-1-2-4-17(14)28-11-23-16(7-8-21-23)18(25)22-15-6-5-13(24(26)27)9-12(15)10-20/h1-9H,11H2,(H,22,25)