(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 4-(2-cyanoethanoylamino)benzoate Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid (2-keto-6,7-dimethyl-chromen-4-yl)methyl ester Formula: C22H18N2O5 MolecularWeight: 390.38872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=CC=C(C=C3)NC(=O)CC#N)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=CC=C(C=C3)NC(=O)CC#N)C

InChI

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