4-[4-[(3-bromanyl-5-ethoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-3-oxidanylidene-1H-pyrazol-2-yl]benzoate

Systemtic Name: 4-[4-[(3-bromanyl-5-ethoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-3-oxidanylidene-1H-pyrazol-2-yl]benzoate Openeye Name: 4-[4-[(3-bromo-5-ethoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzoate CAS Name: 4-[4-[(3-bromo-5-ethoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzoate IUPAC Name: 4-[4-[(3-bromo-5-ethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzoate Traditional Name: 4-[4-[(3-bromo-5-ethoxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methyl]-5-keto-3-methyl-3-pyrazolin-1-yl]benzoate Formula: C20H16BrN2O5- MolecularWeight: 444.25544

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC2=C(NN(C2=O)C3=CC=C(C=C3)C(=O)[O-])C)C=C(C1=O)Br

Isomeric SMILES

CCOC1=CC(=CC2=C(NN(C2=O)C3=CC=C(C=C3)C(=O)[O-])C)C=C(C1=O)Br

InChI

InChI=1S/C20H17BrN2O5/c1-3-28-17-10-12(9-16(21)18(17)24)8-15-11(2)22-23(19(15)25)14-6-4-13(5-7-14)20(26)27/h4-10,22H,3H2,1-2H3,(H,26,27)/p-1