N-(4-chloranyl-2-nitro-phenyl)-1-[(3,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide

Systemtic Name: N-(4-chloranyl-2-nitro-phenyl)-1-[(3,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-(4-chloro-2-nitro-phenyl)-1-[(3,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-(4-chloro-2-nitrophenyl)-1-[(3,5-dimethylphenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(4-chloro-2-nitrophenyl)-1-[(3,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-(4-chloro-2-nitro-phenyl)-1-[(3,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide Formula: C19H17ClN4O4 MolecularWeight: 400.81568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCN2C=CC(=N2)C(=O)NC3=C(C=C(C=C3)Cl)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)OCN2C=CC(=N2)C(=O)NC3=C(C=C(C=C3)Cl)[N+](=O)[O-])C

InChI

InChI=1S/C19H17ClN4O4/c1-12-7-13(2)9-15(8-12)28-11-23-6-5-17(22-23)19(25)21-16-4-3-14(20)10-18(16)24(26)27/h3-10H,11H2,1-2H3,(H,21,25)