(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl 4-oxidanylidenechromene-2-carboxylate

Systemtic Name: (5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl 4-oxidanylidenechromene-2-carboxylate Openeye Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl 4-oxochromene-2-carboxylate CAS Name: 4-oxo-1-benzopyran-2-carboxylic acid (5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 4-oxochromene-2-carboxylate Traditional Name: 4-ketochromene-2-carboxylic acid (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl ester Formula: C21H15ClN2O4 MolecularWeight: 394.8078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1COC(=O)C2=CC(=O)C3=CC=CC=C3O2)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1COC(=O)C2=CC(=O)C3=CC=CC=C3O2)Cl)C4=CC=CC=C4

InChI

InChI=1S/C21H15ClN2O4/c1-13-16(20(22)24(23-13)14-7-3-2-4-8-14)12-27-21(26)19-11-17(25)15-9-5-6-10-18(15)28-19/h2-11H,12H2,1H3