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

Systemtic Name: [2-[[3,5-bis(oxidanylidene)-1-phenyl-pyrazolidin-4-ylidene]methyl]-4-bromanyl-phenyl] ethanoate Openeye Name: [4-bromo-2-[(3,5-dioxo-1-phenyl-pyrazolidin-4-ylidene)methyl]phenyl] acetate CAS Name: acetic acid [4-bromo-2-[(3,5-dioxo-1-phenyl-4-pyrazolidinylidene)methyl]phenyl] ester IUPAC Name: [4-bromo-2-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenyl] acetate Traditional Name: acetic acid [4-bromo-2-[(3,5-diketo-1-phenyl-pyrazolidin-4-ylidene)methyl]phenyl] ester Formula: C18H13BrN2O4 MolecularWeight: 401.21082

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)Br)C=C2C(=O)NN(C2=O)C3=CC=CC=C3

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)Br)C=C2C(=O)NN(C2=O)C3=CC=CC=C3

InChI

InChI=1S/C18H13BrN2O4/c1-11(22)25-16-8-7-13(19)9-12(16)10-15-17(23)20-21(18(15)24)14-5-3-2-4-6-14/h2-10H,1H3,(H,20,23)