4-[[3,5-dimethyl-1-[2-(4-methyl-2-oxidanylidene-chromen-7-yl)oxyethanoyl]pyrazol-4-yl]diazenyl]benzoic acid

Systemtic Name: 4-[[3,5-dimethyl-1-[2-(4-methyl-2-oxidanylidene-chromen-7-yl)oxyethanoyl]pyrazol-4-yl]diazenyl]benzoic acid Openeye Name: 4-[3,5-dimethyl-1-[2-(4-methyl-2-oxo-chromen-7-yl)oxyacetyl]pyrazol-4-yl]azobenzoic acid CAS Name: 4-[[3,5-dimethyl-1-[2-[(4-methyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxoethyl]-4-pyrazolyl]azo]benzoic acid IUPAC Name: 4-[[3,5-dimethyl-1-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]pyrazol-4-yl]diazenyl]benzoic acid Traditional Name: 4-[1-[2-(2-keto-4-methyl-chromen-7-yl)oxyacetyl]-3,5-dimethyl-pyrazol-4-yl]azobenzoic acid Formula: C24H20N4O6 MolecularWeight: 460.4388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)N3C(=C(C(=N3)C)N=NC4=CC=C(C=C4)C(=O)O)C

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)N3C(=C(C(=N3)C)N=NC4=CC=C(C=C4)C(=O)O)C

InChI

InChI=1S/C24H20N4O6/c1-13-10-22(30)34-20-11-18(8-9-19(13)20)33-12-21(29)28-15(3)23(14(2)27-28)26-25-17-6-4-16(5-7-17)24(31)32/h4-11H,12H2,1-3H3,(H,31,32)