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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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