1-[(4-chloranyl-3,5-dimethyl-phenoxy)methyl]-N-(4-methyl-3,5-dinitro-phenyl)pyrazole-3-carboxamide

Systemtic Name: 1-[(4-chloranyl-3,5-dimethyl-phenoxy)methyl]-N-(4-methyl-3,5-dinitro-phenyl)pyrazole-3-carboxamide Openeye Name: 1-[(4-chloro-3,5-dimethyl-phenoxy)methyl]-N-(4-methyl-3,5-dinitro-phenyl)pyrazole-3-carboxamide CAS Name: 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-(4-methyl-3,5-dinitrophenyl)-3-pyrazolecarboxamide IUPAC Name: 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-(4-methyl-3,5-dinitrophenyl)pyrazole-3-carboxamide Traditional Name: 1-[(4-chloro-3,5-dimethyl-phenoxy)methyl]-N-(4-methyl-3,5-dinitro-phenyl)pyrazole-3-carboxamide Formula: C20H18ClN5O6 MolecularWeight: 459.83982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OCN2C=CC(=N2)C(=O)NC3=CC(=C(C(=C3)[N+](=O)[O-])C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OCN2C=CC(=N2)C(=O)NC3=CC(=C(C(=C3)[N+](=O)[O-])C)[N+](=O)[O-]

InChI

InChI=1S/C20H18ClN5O6/c1-11-6-15(7-12(2)19(11)21)32-10-24-5-4-16(23-24)20(27)22-14-8-17(25(28)29)13(3)18(9-14)26(30)31/h4-9H,10H2,1-3H3,(H,22,27)