(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 4-(2-cyanoethanoylamino)benzoate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C22H18N2O5 MolecularWeight: 390.38872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC=C(C=C3)NC(=O)CC#N)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC=C(C=C3)NC(=O)CC#N)C

InChI

InChI=1S/C22H18N2O5/c1-13-3-8-18-16(11-20(26)29-21(18)14(13)2)12-28-22(27)15-4-6-17(7-5-15)24-19(25)9-10-23/h3-8,11H,9,12H2,1-2H3,(H,24,25)