(4-bromophenyl) 2-[5-[(3-methoxyphenyl)methyl]-3-methyl-6-oxidanylidene-pyridazin-1-yl]ethanoate

Systemtic Name: (4-bromophenyl) 2-[5-[(3-methoxyphenyl)methyl]-3-methyl-6-oxidanylidene-pyridazin-1-yl]ethanoate Openeye Name: (4-bromophenyl) 2-[5-[(3-methoxyphenyl)methyl]-3-methyl-6-oxo-pyridazin-1-yl]acetate CAS Name: 2-[5-[(3-methoxyphenyl)methyl]-3-methyl-6-oxo-1-pyridazinyl]acetic acid (4-bromophenyl) ester IUPAC Name: (4-bromophenyl) 2-[5-[(3-methoxyphenyl)methyl]-3-methyl-6-oxopyridazin-1-yl]acetate Traditional Name: 2-(6-keto-5-m-anisyl-3-methyl-pyridazin-1-yl)acetic acid (4-bromophenyl) ester Formula: C21H19BrN2O4 MolecularWeight: 443.29056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C(=C1)CC2=CC(=CC=C2)OC)CC(=O)OC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=NN(C(=O)C(=C1)CC2=CC(=CC=C2)OC)CC(=O)OC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H19BrN2O4/c1-14-10-16(11-15-4-3-5-19(12-15)27-2)21(26)24(23-14)13-20(25)28-18-8-6-17(22)7-9-18/h3-10,12H,11,13H2,1-2H3