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

Systemtic Name: (7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl (E)-3-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)prop-2-enoate Openeye Name: (7-hydroxy-2-oxo-chromen-4-yl)methyl (E)-3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-(1-butyl-5-chloro-3-methyl-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-(1-butyl-5-chloro-3-methylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(1-butyl-5-chloro-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:

CCCCN1C(=C(C(=N1)C)C=CC(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)O)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)/C=C/C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)O)Cl

InChI

InChI=1S/C21H21ClN2O5/c1-3-4-9-24-21(22)16(13(2)23-24)7-8-19(26)28-12-14-10-20(27)29-18-11-15(25)5-6-17(14)18/h5-8,10-11,25H,3-4,9,12H2,1-2H3/b8-7+