(2-oxidanylidene-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: (2-oxidanylidene-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 4-(2-cyanoethanoylamino)benzoate Openeye Name: (2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid (2-oxo-7,8-dihydro-6H-cyclopenta[g][1]benzopyran-4-yl)methyl ester IUPAC Name: (2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid (2-keto-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl ester Formula: C23H18N2O5 MolecularWeight: 402.39942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C3C(=C2)C(=CC(=O)O3)COC(=O)C4=CC=C(C=C4)NC(=O)CC#N

Isomeric SMILES

C1CC2=C(C1)C=C3C(=C2)C(=CC(=O)O3)COC(=O)C4=CC=C(C=C4)NC(=O)CC#N

InChI

InChI=1S/C23H18N2O5/c24-9-8-21(26)25-18-6-4-14(5-7-18)23(28)29-13-17-12-22(27)30-20-11-16-3-1-2-15(16)10-19(17)20/h4-7,10-12H,1-3,8,13H2,(H,25,26)