[4-[[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]methylidene]-3-oxidanylidene-cyclohexa-1,5-dien-1-yl] 2-bromanylbenzoate

Systemtic Name: [4-[[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]methylidene]-3-oxidanylidene-cyclohexa-1,5-dien-1-yl] 2-bromanylbenzoate Openeye Name: [4-[[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]methylene]-3-oxo-cyclohexa-1,5-dien-1-yl] 2-bromobenzoate CAS Name: 2-bromobenzoic acid [4-[[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]methylidene]-3-oxo-1-cyclohexa-1,5-dienyl] ester IUPAC Name: [4-[[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]methylidene]-3-oxocyclohexa-1,5-dien-1-yl] 2-bromobenzoate Traditional Name: 2-bromobenzoic acid [3-keto-4-[[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]methylene]cyclohexa-1,5-dien-1-yl] ester Formula: C25H20BrN3O4 MolecularWeight: 506.348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC=C3C=CC(=CC3=O)OC(=O)C4=CC=CC=C4Br

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC=C3C=CC(=CC3=O)OC(=O)C4=CC=CC=C4Br

InChI

InChI=1S/C25H20BrN3O4/c1-16-23(24(31)29(28(16)2)18-8-4-3-5-9-18)27-15-17-12-13-19(14-22(17)30)33-25(32)20-10-6-7-11-21(20)26/h3-15,27H,1-2H3