(7-methyl-2-oxidanylidene-chromen-4-yl)methyl 3-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate

Systemtic Name: (7-methyl-2-oxidanylidene-chromen-4-yl)methyl 3-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: (7-methyl-2-oxo-chromen-4-yl)methyl 3-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)prop-2-enoate CAS Name: 3-[5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolyl]-2-propenoic acid (7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxochromen-4-yl)methyl 3-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)prop-2-enoate Traditional Name: 3-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)acrylic acid (2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C25H21ClN2O4 MolecularWeight: 448.89824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C=CC3=C(N(N=C3C)CC4=CC=CC=C4)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C=CC3=C(N(N=C3C)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C25H21ClN2O4/c1-16-8-9-21-19(13-24(30)32-22(21)12-16)15-31-23(29)11-10-20-17(2)27-28(25(20)26)14-18-6-4-3-5-7-18/h3-13H,14-15H2,1-2H3