(7-methyl-2-oxidanylidene-chromen-4-yl)methyl 1,3-diphenylpyrazole-4-carboxylate

Systemtic Name: (7-methyl-2-oxidanylidene-chromen-4-yl)methyl 1,3-diphenylpyrazole-4-carboxylate Openeye Name: (7-methyl-2-oxo-chromen-4-yl)methyl 1,3-diphenylpyrazole-4-carboxylate CAS Name: 1,3-diphenyl-4-pyrazolecarboxylic acid (7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxochromen-4-yl)methyl 1,3-diphenylpyrazole-4-carboxylate Traditional Name: 1,3-diphenylpyrazole-4-carboxylic acid (2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C27H20N2O4 MolecularWeight: 436.4587

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H20N2O4/c1-18-12-13-22-20(15-25(30)33-24(22)14-18)17-32-27(31)23-16-29(21-10-6-3-7-11-21)28-26(23)19-8-4-2-5-9-19/h2-16H,17H2,1H3