ethyl 1-(3-bromophenyl)-4-[2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-ethoxy]-6-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: ethyl 1-(3-bromophenyl)-4-[2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-ethoxy]-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: ethyl 4-[2-(3-acetylanilino)-2-oxo-ethoxy]-1-(3-bromophenyl)-6-oxo-pyridazine-3-carboxylate CAS Name: 4-[2-(3-acetylanilino)-2-oxoethoxy]-1-(3-bromophenyl)-6-oxo-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(3-acetylanilino)-2-oxoethoxy]-1-(3-bromophenyl)-6-oxopyridazine-3-carboxylate Traditional Name: 4-[2-(3-acetylanilino)-2-keto-ethoxy]-1-(3-bromophenyl)-6-keto-pyridazine-3-carboxylic acid ethyl ester Formula: C23H20BrN3O6 MolecularWeight: 514.3254

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C=C1OCC(=O)NC2=CC=CC(=C2)C(=O)C)C3=CC(=CC=C3)Br

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C=C1OCC(=O)NC2=CC=CC(=C2)C(=O)C)C3=CC(=CC=C3)Br

InChI

InChI=1S/C23H20BrN3O6/c1-3-32-23(31)22-19(12-21(30)27(26-22)18-9-5-7-16(24)11-18)33-13-20(29)25-17-8-4-6-15(10-17)14(2)28/h4-12H,3,13H2,1-2H3,(H,25,29)