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

Systemtic Name: 1-[(2-chloranyl-4-nitro-phenoxy)methyl]-N-(4-methyl-3,5-dinitro-phenyl)pyrazole-3-carboxamide Openeye Name: 1-[(2-chloro-4-nitro-phenoxy)methyl]-N-(4-methyl-3,5-dinitro-phenyl)pyrazole-3-carboxamide CAS Name: 1-[(2-chloro-4-nitrophenoxy)methyl]-N-(4-methyl-3,5-dinitrophenyl)-3-pyrazolecarboxamide IUPAC Name: 1-[(2-chloro-4-nitrophenoxy)methyl]-N-(4-methyl-3,5-dinitrophenyl)pyrazole-3-carboxamide Traditional Name: 1-[(2-chloro-4-nitro-phenoxy)methyl]-N-(4-methyl-3,5-dinitro-phenyl)pyrazole-3-carboxamide Formula: C18H13ClN6O8 MolecularWeight: 476.78422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])NC(=O)C2=NN(C=C2)COC3=C(C=C(C=C3)[N+](=O)[O-])Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])NC(=O)C2=NN(C=C2)COC3=C(C=C(C=C3)[N+](=O)[O-])Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H13ClN6O8/c1-10-15(24(29)30)6-11(7-16(10)25(31)32)20-18(26)14-4-5-22(21-14)9-33-17-3-2-12(23(27)28)8-13(17)19/h2-8H,9H2,1H3,(H,20,26)