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

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: (6-chloro-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 (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-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 (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C23H18Cl2N2O4 MolecularWeight: 457.30602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=C(N(N=C3C)CC4=CC=CC=C4)Cl)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=C(N(N=C3C)CC4=CC=CC=C4)Cl)Cl

InChI

InChI=1S/C23H18Cl2N2O4/c1-13-8-19-17(10-18(13)24)16(9-20(28)31-19)12-30-23(29)21-14(2)26-27(22(21)25)11-15-6-4-3-5-7-15/h3-10H,11-12H2,1-2H3