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

Systemtic Name: [2-[[3,5-bis(oxidanylidene)-1-phenyl-pyrazolidin-4-ylidene]methyl]-4-bromanyl-6-methoxy-phenyl] ethanoate Openeye Name: [4-bromo-2-[(3,5-dioxo-1-phenyl-pyrazolidin-4-ylidene)methyl]-6-methoxy-phenyl] acetate CAS Name: acetic acid [4-bromo-2-[(3,5-dioxo-1-phenyl-4-pyrazolidinylidene)methyl]-6-methoxyphenyl] ester IUPAC Name: [4-bromo-2-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-6-methoxyphenyl] acetate Traditional Name: acetic acid [4-bromo-2-[(3,5-diketo-1-phenyl-pyrazolidin-4-ylidene)methyl]-6-methoxy-phenyl] ester Formula: C19H15BrN2O5 MolecularWeight: 431.2368

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1C=C2C(=O)NN(C2=O)C3=CC=CC=C3)Br)OC

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1C=C2C(=O)NN(C2=O)C3=CC=CC=C3)Br)OC

InChI

InChI=1S/C19H15BrN2O5/c1-11(23)27-17-12(8-13(20)10-16(17)26-2)9-15-18(24)21-22(19(15)25)14-6-4-3-5-7-14/h3-10H,1-2H3,(H,21,24)