6-chloranyl-7-[2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethoxy]-4-methyl-chromen-2-one

Systemtic Name: 6-chloranyl-7-[2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethoxy]-4-methyl-chromen-2-one Openeye Name: 7-[2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethoxy]-6-chloro-4-methyl-chromen-2-one CAS Name: 6-chloro-7-[2-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-oxoethoxy]-4-methyl-1-benzopyran-2-one IUPAC Name: 6-chloro-7-[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethoxy]-4-methylchromen-2-one Traditional Name: 7-[2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethoxy]-6-chloro-4-methyl-coumarin Formula: C21H20ClNO4 MolecularWeight: 385.8408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=CC(=C(C=C12)Cl)OCC(=O)C3=C(N(C(=C3)C)CC=C)C

Isomeric SMILES

CC1=CC(=O)OC2=CC(=C(C=C12)Cl)OCC(=O)C3=C(N(C(=C3)C)CC=C)C

InChI

InChI=1S/C21H20ClNO4/c1-5-6-23-13(3)8-16(14(23)4)18(24)11-26-20-10-19-15(9-17(20)22)12(2)7-21(25)27-19/h5,7-10H,1,6,11H2,2-4H3