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

Systemtic Name: (4-methyl-2-oxidanylidene-chromen-7-yl) (E)-3-[5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]prop-2-enoate Openeye Name: (4-methyl-2-oxo-chromen-7-yl) (E)-3-(5-chloro-1-isobutyl-3-methyl-pyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)-4-pyrazolyl]-2-propenoic acid (4-methyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (4-methyl-2-oxochromen-7-yl) (E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]prop-2-enoate Traditional Name: (E)-3-(5-chloro-1-isobutyl-3-methyl-pyrazol-4-yl)acrylic acid (2-keto-4-methyl-chromen-7-yl) ester Formula: C21H21ClN2O4 MolecularWeight: 400.85544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C=CC3=C(N(N=C3C)CC(C)C)Cl

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)/C=C/C3=C(N(N=C3C)CC(C)C)Cl

InChI

InChI=1S/C21H21ClN2O4/c1-12(2)11-24-21(22)17(14(4)23-24)7-8-19(25)27-15-5-6-16-13(3)9-20(26)28-18(16)10-15/h5-10,12H,11H2,1-4H3/b8-7+