ethyl 4-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethoxy]-1-(3-bromophenyl)-6-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: ethyl 4-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethoxy]-1-(3-bromophenyl)-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: ethyl 4-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethoxy]-1-(3-bromophenyl)-6-oxo-pyridazine-3-carboxylate CAS Name: 4-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethoxy]-1-(3-bromophenyl)-6-oxo-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethoxy]-1-(3-bromophenyl)-6-oxopyridazine-3-carboxylate Traditional Name: 1-(3-bromophenyl)-6-keto-4-[2-keto-2-(piperonylamino)ethoxy]pyridazine-3-carboxylic acid ethyl ester Formula: C23H20BrN3O7 MolecularWeight: 530.3248

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C=C1OCC(=O)NCC2=CC3=C(C=C2)OCO3)C4=CC(=CC=C4)Br

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C=C1OCC(=O)NCC2=CC3=C(C=C2)OCO3)C4=CC(=CC=C4)Br

InChI

InChI=1S/C23H20BrN3O7/c1-2-31-23(30)22-19(10-21(29)27(26-22)16-5-3-4-15(24)9-16)32-12-20(28)25-11-14-6-7-17-18(8-14)34-13-33-17/h3-10H,2,11-13H2,1H3,(H,25,28)