N-(4-methyl-3,5-dinitro-phenyl)-1-(phenoxymethyl)pyrazole-3-carboxamide

Systemtic Name: N-(4-methyl-3,5-dinitro-phenyl)-1-(phenoxymethyl)pyrazole-3-carboxamide Openeye Name: N-(4-methyl-3,5-dinitro-phenyl)-1-(phenoxymethyl)pyrazole-3-carboxamide CAS Name: N-(4-methyl-3,5-dinitrophenyl)-1-(phenoxymethyl)-3-pyrazolecarboxamide IUPAC Name: N-(4-methyl-3,5-dinitrophenyl)-1-(phenoxymethyl)pyrazole-3-carboxamide Traditional Name: N-(4-methyl-3,5-dinitro-phenyl)-1-(phenoxymethyl)pyrazole-3-carboxamide Formula: C18H15N5O6 MolecularWeight: 397.3416

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C18H15N5O6/c1-12-16(22(25)26)9-13(10-17(12)23(27)28)19-18(24)15-7-8-21(20-15)11-29-14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,19,24)