(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 2-[(4-methylphenyl)carbonylamino]ethanoate

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 2-[(4-methylphenyl)carbonylamino]ethanoate Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl 2-[(4-methylbenzoyl)amino]acetate CAS Name: 2-[[(4-methylphenyl)-oxomethyl]amino]acetic acid (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 2-[(4-methylbenzoyl)amino]acetate Traditional Name: 2-(p-toluoylamino)acetic 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=CC=C(C=C1)C(=O)NCC(=O)OCC2=CC(=O)OC3=CC(=C(C=C23)Cl)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NCC(=O)OCC2=CC(=O)OC3=CC(=C(C=C23)Cl)C

InChI

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