4-(6-bromanyl-2-oxidanylidene-chromen-3-yl)carbonyl-5-methyl-2-phenyl-pyrazol-3-olate

Systemtic Name: 4-(6-bromanyl-2-oxidanylidene-chromen-3-yl)carbonyl-5-methyl-2-phenyl-pyrazol-3-olate Openeye Name: 4-(6-bromo-2-oxo-chromene-3-carbonyl)-5-methyl-2-phenyl-pyrazol-3-olate CAS Name: 4-[(6-bromo-2-oxo-1-benzopyran-3-yl)-oxomethyl]-5-methyl-2-phenyl-3-pyrazololate IUPAC Name: 4-(6-bromo-2-oxochromene-3-carbonyl)-5-methyl-2-phenylpyrazol-3-olate Traditional Name: 4-(6-bromo-2-keto-chromene-3-carbonyl)-5-methyl-2-phenyl-pyrazol-3-olate Formula: C20H12BrN2O4- MolecularWeight: 424.22428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)C2=CC3=C(C=CC(=C3)Br)OC2=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C(=O)C2=CC3=C(C=CC(=C3)Br)OC2=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C20H13BrN2O4/c1-11-17(19(25)23(22-11)14-5-3-2-4-6-14)18(24)15-10-12-9-13(21)7-8-16(12)27-20(15)26/h2-10,25H,1H3/p-1