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

Systemtic Name: (7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl (E)-3-[5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]prop-2-enoate Openeye Name: (7-hydroxy-2-oxo-chromen-4-yl)methyl (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 (7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-2-oxochromen-4-yl)methyl (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 (7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C21H21ClN2O5 MolecularWeight: 416.85484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)O)Cl)CC(C)C

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)O)Cl)CC(C)C

InChI

InChI=1S/C21H21ClN2O5/c1-12(2)10-24-21(22)16(13(3)23-24)6-7-19(26)28-11-14-8-20(27)29-18-9-15(25)4-5-17(14)18/h4-9,12,25H,10-11H2,1-3H3/b7-6+