(7-methyl-2-oxidanylidene-chromen-4-yl)methyl 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: (7-methyl-2-oxidanylidene-chromen-4-yl)methyl 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: (7-methyl-2-oxo-chromen-4-yl)methyl 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid (7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxochromen-4-yl)methyl 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate Traditional Name: 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid (2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C23H19ClN2O4 MolecularWeight: 422.86096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=C(N(N=C3C)CC4=CC=CC=C4)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=C(N(N=C3C)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C23H19ClN2O4/c1-14-8-9-18-17(11-20(27)30-19(18)10-14)13-29-23(28)21-15(2)25-26(22(21)24)12-16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3