4-[5-(4-bromophenyl)-3-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)pyrazolidin-1-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[5-(4-bromophenyl)-3-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)pyrazolidin-1-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[5-(4-bromophenyl)-3-(4-oxocyclohexa-2,5-dien-1-ylidene)pyrazolidin-1-yl]-4-oxo-butanoic acid CAS Name: 4-[5-(4-bromophenyl)-3-(4-oxo-1-cyclohexa-2,5-dienylidene)-1-pyrazolidinyl]-4-oxobutanoic acid IUPAC Name: 4-[5-(4-bromophenyl)-3-(4-oxocyclohexa-2,5-dien-1-ylidene)pyrazolidin-1-yl]-4-oxobutanoic acid Traditional Name: 4-[5-(4-bromophenyl)-3-(4-ketocyclohexa-2,5-dien-1-ylidene)pyrazolidin-1-yl]-4-keto-butyric acid Formula: C19H17BrN2O4 MolecularWeight: 417.25328

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(NC1=C2C=CC(=O)C=C2)C(=O)CCC(=O)O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1C(N(NC1=C2C=CC(=O)C=C2)C(=O)CCC(=O)O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C19H17BrN2O4/c20-14-5-1-13(2-6-14)17-11-16(12-3-7-15(23)8-4-12)21-22(17)18(24)9-10-19(25)26/h1-8,17,21H,9-11H2,(H,25,26)