methyl 2-[2-bromanyl-4-[(E)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]phenoxy]ethanoate

Systemtic Name: methyl 2-[2-bromanyl-4-[(E)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]phenoxy]ethanoate Openeye Name: methyl 2-[2-bromo-4-[(E)-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]phenoxy]acetate CAS Name: 2-[2-bromo-4-[(E)-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]phenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[2-bromo-4-[(E)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]phenoxy]acetate Traditional Name: 2-[2-bromo-4-[(E)-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)methyl]phenoxy]acetic acid methyl ester Formula: C20H17BrN2O4 MolecularWeight: 429.26398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/C2=CC(=C(C=C2)OCC(=O)OC)Br)C3=CC=CC=C3

InChI

InChI=1S/C20H17BrN2O4/c1-13-16(20(25)23(22-13)15-6-4-3-5-7-15)10-14-8-9-18(17(21)11-14)27-12-19(24)26-2/h3-11H,12H2,1-2H3/b16-10+