methyl 2-[2-[[3,5-bis(oxidanylidene)-1-phenyl-pyrazolidin-4-ylidene]methyl]-4-bromanyl-6-methoxy-phenoxy]ethanoate

Systemtic Name: methyl 2-[2-[[3,5-bis(oxidanylidene)-1-phenyl-pyrazolidin-4-ylidene]methyl]-4-bromanyl-6-methoxy-phenoxy]ethanoate Openeye Name: methyl 2-[4-bromo-2-[(3,5-dioxo-1-phenyl-pyrazolidin-4-ylidene)methyl]-6-methoxy-phenoxy]acetate CAS Name: 2-[4-bromo-2-[(3,5-dioxo-1-phenyl-4-pyrazolidinylidene)methyl]-6-methoxyphenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[4-bromo-2-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-6-methoxyphenoxy]acetate Traditional Name: 2-[4-bromo-2-[(3,5-diketo-1-phenyl-pyrazolidin-4-ylidene)methyl]-6-methoxy-phenoxy]acetic acid methyl ester Formula: C20H17BrN2O6 MolecularWeight: 461.26278

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)Br)C=C2C(=O)NN(C2=O)C3=CC=CC=C3)OCC(=O)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)Br)C=C2C(=O)NN(C2=O)C3=CC=CC=C3)OCC(=O)OC

InChI

InChI=1S/C20H17BrN2O6/c1-27-16-10-13(21)8-12(18(16)29-11-17(24)28-2)9-15-19(25)22-23(20(15)26)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,22,25)