N-(4-methyl-3,5-dinitro-phenyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide

Systemtic Name: N-(4-methyl-3,5-dinitro-phenyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-(4-methyl-3,5-dinitro-phenyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-(4-methyl-3,5-dinitrophenyl)-1-[(2-methylphenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(4-methyl-3,5-dinitrophenyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-(4-methyl-3,5-dinitro-phenyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide Formula: C19H17N5O6 MolecularWeight: 411.36818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCN2C=CC(=N2)C(=O)NC3=CC(=C(C(=C3)[N+](=O)[O-])C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1OCN2C=CC(=N2)C(=O)NC3=CC(=C(C(=C3)[N+](=O)[O-])C)[N+](=O)[O-]

InChI

InChI=1S/C19H17N5O6/c1-12-5-3-4-6-18(12)30-11-22-8-7-15(21-22)19(25)20-14-9-16(23(26)27)13(2)17(10-14)24(28)29/h3-10H,11H2,1-2H3,(H,20,25)