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

Systemtic Name: 1-[(4-chloranyl-3-methyl-phenoxy)methyl]-N-(4-methyl-3,5-dinitro-phenyl)pyrazole-3-carboxamide Openeye Name: 1-[(4-chloro-3-methyl-phenoxy)methyl]-N-(4-methyl-3,5-dinitro-phenyl)pyrazole-3-carboxamide CAS Name: 1-[(4-chloro-3-methylphenoxy)methyl]-N-(4-methyl-3,5-dinitrophenyl)-3-pyrazolecarboxamide IUPAC Name: 1-[(4-chloro-3-methylphenoxy)methyl]-N-(4-methyl-3,5-dinitrophenyl)pyrazole-3-carboxamide Traditional Name: 1-[(4-chloro-3-methyl-phenoxy)methyl]-N-(4-methyl-3,5-dinitro-phenyl)pyrazole-3-carboxamide Formula: C19H16ClN5O6 MolecularWeight: 445.81324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16ClN5O6/c1-11-7-14(3-4-15(11)20)31-10-23-6-5-16(22-23)19(26)21-13-8-17(24(27)28)12(2)18(9-13)25(29)30/h3-9H,10H2,1-2H3,(H,21,26)