methyl 4-chloranyl-2-[3-(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)propanoylamino]benzoate

Systemtic Name: methyl 4-chloranyl-2-[3-(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)propanoylamino]benzoate Openeye Name: methyl 4-chloro-2-[3-(7-hydroxy-4-methyl-2-oxo-chromen-3-yl)propanoylamino]benzoate CAS Name: 4-chloro-2-[[3-(7-hydroxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-2-[3-(7-hydroxy-4-methyl-2-oxochromen-3-yl)propanoylamino]benzoate Traditional Name: 4-chloro-2-[3-(7-hydroxy-2-keto-4-methyl-chromen-3-yl)propanoylamino]benzoic acid methyl ester Formula: C21H18ClNO6 MolecularWeight: 415.82372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)O)CCC(=O)NC3=C(C=CC(=C3)Cl)C(=O)OC

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)O)CCC(=O)NC3=C(C=CC(=C3)Cl)C(=O)OC

InChI

InChI=1S/C21H18ClNO6/c1-11-14-6-4-13(24)10-18(14)29-21(27)15(11)7-8-19(25)23-17-9-12(22)3-5-16(17)20(26)28-2/h3-6,9-10,24H,7-8H2,1-2H3,(H,23,25)