1-[(3-chloranylphenoxy)methyl]-N-(2-cyano-4-nitro-phenyl)pyrazole-3-carboxamide

Systemtic Name: 1-[(3-chloranylphenoxy)methyl]-N-(2-cyano-4-nitro-phenyl)pyrazole-3-carboxamide Openeye Name: 1-[(3-chlorophenoxy)methyl]-N-(2-cyano-4-nitro-phenyl)pyrazole-3-carboxamide CAS Name: 1-[(3-chlorophenoxy)methyl]-N-(2-cyano-4-nitrophenyl)-3-pyrazolecarboxamide IUPAC Name: 1-[(3-chlorophenoxy)methyl]-N-(2-cyano-4-nitrophenyl)pyrazole-3-carboxamide Traditional Name: 1-[(3-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(=CC(=C1)Cl)OCN2C=CC(=N2)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

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

InChI

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