2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)-N-[3-nitro-5-(4-oxidanylphenoxy)phenyl]ethanamide

Systemtic Name: 2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)-N-[3-nitro-5-(4-oxidanylphenoxy)phenyl]ethanamide Openeye Name: 2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)-N-[3-(4-hydroxyphenoxy)-5-nitro-phenyl]acetamide CAS Name: 2-(4-bromo-5-methyl-3-nitro-1-pyrazolyl)-N-[3-(4-hydroxyphenoxy)-5-nitrophenyl]acetamide IUPAC Name: 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-[3-(4-hydroxyphenoxy)-5-nitrophenyl]acetamide Traditional Name: 2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)-N-[3-(4-hydroxyphenoxy)-5-nitro-phenyl]acetamide Formula: C18H14BrN5O7 MolecularWeight: 492.23706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NC2=CC(=CC(=C2)OC3=CC=C(C=C3)O)[N+](=O)[O-])[N+](=O)[O-])Br

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NC2=CC(=CC(=C2)OC3=CC=C(C=C3)O)[N+](=O)[O-])[N+](=O)[O-])Br

InChI

InChI=1S/C18H14BrN5O7/c1-10-17(19)18(24(29)30)21-22(10)9-16(26)20-11-6-12(23(27)28)8-15(7-11)31-14-4-2-13(25)3-5-14/h2-8,25H,9H2,1H3,(H,20,26)