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

Systemtic Name: [2-[[3,5-bis(oxidanylidene)-1-phenyl-pyrazolidin-4-ylidene]methyl]-4-bromanyl-phenyl] 3-methylbenzoate Openeye Name: [4-bromo-2-[(3,5-dioxo-1-phenyl-pyrazolidin-4-ylidene)methyl]phenyl] 3-methylbenzoate CAS Name: 3-methylbenzoic 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] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [4-bromo-2-[(3,5-diketo-1-phenyl-pyrazolidin-4-ylidene)methyl]phenyl] ester Formula: C24H17BrN2O4 MolecularWeight: 477.30678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OC2=C(C=C(C=C2)Br)C=C3C(=O)NN(C3=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OC2=C(C=C(C=C2)Br)C=C3C(=O)NN(C3=O)C4=CC=CC=C4

InChI

InChI=1S/C24H17BrN2O4/c1-15-6-5-7-16(12-15)24(30)31-21-11-10-18(25)13-17(21)14-20-22(28)26-27(23(20)29)19-8-3-2-4-9-19/h2-14H,1H3,(H,26,28)