1-(3-bromophenyl)-5-ethyl-3-(4-nitro-3-oxidanyl-phenyl)pyrazole-4-carboxylic acid

Systemtic Name: 1-(3-bromophenyl)-5-ethyl-3-(4-nitro-3-oxidanyl-phenyl)pyrazole-4-carboxylic acid Openeye Name: 1-(3-bromophenyl)-5-ethyl-3-(3-hydroxy-4-nitro-phenyl)pyrazole-4-carboxylic acid CAS Name: 1-(3-bromophenyl)-5-ethyl-3-(3-hydroxy-4-nitrophenyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-bromophenyl)-5-ethyl-3-(3-hydroxy-4-nitrophenyl)pyrazole-4-carboxylic acid Traditional Name: 1-(3-bromophenyl)-5-ethyl-3-(3-hydroxy-4-nitro-phenyl)pyrazole-4-carboxylic acid Formula: C18H14BrN3O5 MolecularWeight: 432.22486

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NN1C2=CC(=CC=C2)Br)C3=CC(=C(C=C3)[N+](=O)[O-])O)C(=O)O

Isomeric SMILES

CCC1=C(C(=NN1C2=CC(=CC=C2)Br)C3=CC(=C(C=C3)[N+](=O)[O-])O)C(=O)O

InChI

InChI=1S/C18H14BrN3O5/c1-2-13-16(18(24)25)17(10-6-7-14(22(26)27)15(23)8-10)20-21(13)12-5-3-4-11(19)9-12/h3-9,23H,2H2,1H3,(H,24,25)