(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 4-(acetamidomethyl)benzoate

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 4-(acetamidomethyl)benzoate Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl 4-(acetamidomethyl)benzoate CAS Name: 4-(acetamidomethyl)benzoic acid (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 4-(acetamidomethyl)benzoate Traditional Name: 4-(acetamidomethyl)benzoic acid (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C21H18ClNO5 MolecularWeight: 399.82432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC=C(C=C3)CNC(=O)C)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC=C(C=C3)CNC(=O)C)Cl

InChI

InChI=1S/C21H18ClNO5/c1-12-7-19-17(9-18(12)22)16(8-20(25)28-19)11-27-21(26)15-5-3-14(4-6-15)10-23-13(2)24/h3-9H,10-11H2,1-2H3,(H,23,24)