4-[4-[(Z)-(3-bromanyl-5-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]-5-methyl-3-oxidanylidene-1H-pyrazol-2-yl]benzoic acid

Systemtic Name: 4-[4-[(Z)-(3-bromanyl-5-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]-5-methyl-3-oxidanylidene-1H-pyrazol-2-yl]benzoic acid Openeye Name: 4-[4-[(Z)-(3-bromo-5-methoxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzoic acid CAS Name: 4-[4-[(Z)-(3-bromo-5-methoxy-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzoic acid IUPAC Name: 4-[4-[(Z)-(3-bromo-5-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzoic acid Traditional Name: 4-[4-[(Z)-(3-bromo-6-keto-5-methoxy-cyclohexa-2,4-dien-1-ylidene)methyl]-5-keto-3-methyl-3-pyrazolin-1-yl]benzoic acid Formula: C19H15BrN2O5 MolecularWeight: 431.2368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=C(C=C2)C(=O)O)C=C3C=C(C=C(C3=O)OC)Br

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=C(C=C2)C(=O)O)/C=C\3/C=C(C=C(C3=O)OC)Br

InChI

InChI=1S/C19H15BrN2O5/c1-10-15(8-12-7-13(20)9-16(27-2)17(12)23)18(24)22(21-10)14-5-3-11(4-6-14)19(25)26/h3-9,21H,1-2H3,(H,25,26)/b12-8-