(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 1,3-diphenylpyrazole-4-carboxylate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 1,3-diphenylpyrazole-4-carboxylate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl 1,3-diphenylpyrazole-4-carboxylate CAS Name: 1,3-diphenyl-4-pyrazolecarboxylic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl 1,3-diphenylpyrazole-4-carboxylate Traditional Name: 1,3-diphenylpyrazole-4-carboxylic acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C28H22N2O4 MolecularWeight: 450.48528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5)C

InChI

InChI=1S/C28H22N2O4/c1-18-13-14-23-21(15-25(31)34-27(23)19(18)2)17-33-28(32)24-16-30(22-11-7-4-8-12-22)29-26(24)20-9-5-3-6-10-20/h3-16H,17H2,1-2H3