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

Systemtic Name: N-(4-methyl-3,5-dinitro-phenyl)-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-(4-methyl-3,5-dinitro-phenyl)-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-(4-methyl-3,5-dinitrophenyl)-1-[(2-nitrophenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(4-methyl-3,5-dinitrophenyl)-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-(4-methyl-3,5-dinitro-phenyl)-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide Formula: C18H14N6O8 MolecularWeight: 442.33916

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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=CC=CC=C3[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H14N6O8/c1-11-15(23(28)29)8-12(9-16(11)24(30)31)19-18(25)13-6-7-21(20-13)10-32-17-5-3-2-4-14(17)22(26)27/h2-9H,10H2,1H3,(H,19,25)