(6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 3-acetamidobenzoate

Systemtic Name: (6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 3-acetamidobenzoate Openeye Name: (6-chloro-7-ethyl-2-oxo-chromen-4-yl)methyl 3-acetamidobenzoate CAS Name: 3-acetamidobenzoic acid (6-chloro-7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-ethyl-2-oxochromen-4-yl)methyl 3-acetamidobenzoate Traditional Name: 3-acetamidobenzoic acid (6-chloro-7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C21H18ClNO5 MolecularWeight: 399.82432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC(=CC=C3)NC(=O)C)Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC(=CC=C3)NC(=O)C)Cl

InChI

InChI=1S/C21H18ClNO5/c1-3-13-8-19-17(10-18(13)22)15(9-20(25)28-19)11-27-21(26)14-5-4-6-16(7-14)23-12(2)24/h4-10H,3,11H2,1-2H3,(H,23,24)