(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 3-(1,3,5-trimethylpyrazol-4-yl)propanoate

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 3-(1,3,5-trimethylpyrazol-4-yl)propanoate Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl 3-(1,3,5-trimethylpyrazol-4-yl)propanoate CAS Name: 3-(1,3,5-trimethyl-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-(1,3,5-trimethylpyrazol-4-yl)propanoate Traditional Name: 3-(1,3,5-trimethylpyrazol-4-yl)propionic acid (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C20H21ClN2O4 MolecularWeight: 388.84474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CCC3=C(N(N=C3C)C)C)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CCC3=C(N(N=C3C)C)C)Cl

InChI

InChI=1S/C20H21ClN2O4/c1-11-7-18-16(9-17(11)21)14(8-20(25)27-18)10-26-19(24)6-5-15-12(2)22-23(4)13(15)3/h7-9H,5-6,10H2,1-4H3