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

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 4-methoxy-1-phenyl-pyrazole-3-carboxylate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl 4-methoxy-1-phenyl-pyrazole-3-carboxylate CAS Name: 4-methoxy-1-phenyl-3-pyrazolecarboxylic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl 4-methoxy-1-phenylpyrazole-3-carboxylate Traditional Name: 4-methoxy-1-phenyl-pyrazole-3-carboxylic acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C23H20N2O5 MolecularWeight: 404.4153

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=NN(C=C3OC)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=NN(C=C3OC)C4=CC=CC=C4)C

InChI

InChI=1S/C23H20N2O5/c1-14-9-10-18-16(11-20(26)30-22(18)15(14)2)13-29-23(27)21-19(28-3)12-25(24-21)17-7-5-4-6-8-17/h4-12H,13H2,1-3H3