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

Systemtic Name: [4-[[3,5-bis(oxidanylidene)-1-phenyl-pyrazolidin-4-ylidene]methyl]-2-bromanyl-phenyl] 3-methoxybenzoate Openeye Name: [2-bromo-4-[(3,5-dioxo-1-phenyl-pyrazolidin-4-ylidene)methyl]phenyl] 3-methoxybenzoate CAS Name: 3-methoxybenzoic acid [2-bromo-4-[(3,5-dioxo-1-phenyl-4-pyrazolidinylidene)methyl]phenyl] ester IUPAC Name: [2-bromo-4-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenyl] 3-methoxybenzoate Traditional Name: 3-methoxybenzoic acid [2-bromo-4-[(3,5-diketo-1-phenyl-pyrazolidin-4-ylidene)methyl]phenyl] ester Formula: C24H17BrN2O5 MolecularWeight: 493.30618

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)OC2=C(C=C(C=C2)C=C3C(=O)NN(C3=O)C4=CC=CC=C4)Br

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)OC2=C(C=C(C=C2)C=C3C(=O)NN(C3=O)C4=CC=CC=C4)Br

InChI

InChI=1S/C24H17BrN2O5/c1-31-18-9-5-6-16(14-18)24(30)32-21-11-10-15(13-20(21)25)12-19-22(28)26-27(23(19)29)17-7-3-2-4-8-17/h2-14H,1H3,(H,26,28)