[2-bromanyl-6-methoxy-4-[(E)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]phenyl] ethanoate

Systemtic Name: [2-bromanyl-6-methoxy-4-[(E)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]phenyl] ethanoate Openeye Name: [2-bromo-6-methoxy-4-[(E)-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]phenyl] acetate CAS Name: acetic acid [2-bromo-6-methoxy-4-[(E)-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]phenyl] ester IUPAC Name: [2-bromo-6-methoxy-4-[(E)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]phenyl] acetate Traditional Name: acetic acid [2-bromo-4-[(E)-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)methyl]-6-methoxy-phenyl] 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)Br)OC(=O)C)OC)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H17BrN2O4/c1-12-16(20(25)23(22-12)15-7-5-4-6-8-15)9-14-10-17(21)19(27-13(2)24)18(11-14)26-3/h4-11H,1-3H3/b16-9+