4-[(4Z)-3-methyl-5-oxidanylidene-4-[(4-oxidanylidenechromen-3-yl)methylidene]pyrazol-1-yl]benzoic acid

Systemtic Name: 4-[(4Z)-3-methyl-5-oxidanylidene-4-[(4-oxidanylidenechromen-3-yl)methylidene]pyrazol-1-yl]benzoic acid Openeye Name: 4-[(4Z)-3-methyl-5-oxo-4-[(4-oxochromen-3-yl)methylene]pyrazol-1-yl]benzoic acid CAS Name: 4-[(4Z)-3-methyl-5-oxo-4-[(4-oxo-1-benzopyran-3-yl)methylidene]-1-pyrazolyl]benzoic acid IUPAC Name: 4-[(4Z)-3-methyl-5-oxo-4-[(4-oxochromen-3-yl)methylidene]pyrazol-1-yl]benzoic acid Traditional Name: 4-[(4Z)-5-keto-4-[(4-ketochromen-3-yl)methylene]-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C21H14N2O5 MolecularWeight: 374.34626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=COC3=CC=CC=C3C2=O)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC\1=NN(C(=O)/C1=C\C2=COC3=CC=CC=C3C2=O)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C21H14N2O5/c1-12-17(10-14-11-28-18-5-3-2-4-16(18)19(14)24)20(25)23(22-12)15-8-6-13(7-9-15)21(26)27/h2-11H,1H3,(H,26,27)/b17-10-