(7-methyl-2-oxidanylidene-chromen-4-yl)methyl 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: (7-methyl-2-oxidanylidene-chromen-4-yl)methyl 4-(2-cyanoethanoylamino)benzoate Openeye Name: (7-methyl-2-oxo-chromen-4-yl)methyl 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid (7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxochromen-4-yl)methyl 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid (2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C21H16N2O5 MolecularWeight: 376.36214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC=C(C=C3)NC(=O)CC#N

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC=C(C=C3)NC(=O)CC#N

InChI

InChI=1S/C21H16N2O5/c1-13-2-7-17-15(11-20(25)28-18(17)10-13)12-27-21(26)14-3-5-16(6-4-14)23-19(24)8-9-22/h2-7,10-11H,8,12H2,1H3,(H,23,24)