ethyl 4-bromanyl-3-(4-nitrophenyl)-5-oxidanylidene-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 4-bromanyl-3-(4-nitrophenyl)-5-oxidanylidene-1-phenyl-pyrazole-4-carboxylate Openeye Name: ethyl 4-bromo-3-(4-nitrophenyl)-5-oxo-1-phenyl-pyrazole-4-carboxylate CAS Name: 4-bromo-3-(4-nitrophenyl)-5-oxo-1-phenyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-bromo-3-(4-nitrophenyl)-5-oxo-1-phenylpyrazole-4-carboxylate Traditional Name: 4-bromo-5-keto-3-(4-nitrophenyl)-1-phenyl-2-pyrazoline-4-carboxylic acid ethyl ester Formula: C18H14BrN3O5 MolecularWeight: 432.22486

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(=NN(C1=O)C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-])Br

Isomeric SMILES

CCOC(=O)C1(C(=NN(C1=O)C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-])Br

InChI

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