(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 3-(1-phenylpyrazol-4-yl)propanoate

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 3-(1-phenylpyrazol-4-yl)propanoate Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl 3-(1-phenylpyrazol-4-yl)propanoate CAS Name: 3-(1-phenyl-4-pyrazolyl)propanoic acid (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 3-(1-phenylpyrazol-4-yl)propanoate Traditional Name: 3-(1-phenylpyrazol-4-yl)propionic acid (6-chloro-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=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CCC3=CN(N=C3)C4=CC=CC=C4)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CCC3=CN(N=C3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C23H19ClN2O4/c1-15-9-21-19(11-20(15)24)17(10-23(28)30-21)14-29-22(27)8-7-16-12-25-26(13-16)18-5-3-2-4-6-18/h2-6,9-13H,7-8,14H2,1H3