(3-oxidanylidenebenzo[f]chromen-1-yl)methyl 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: (3-oxidanylidenebenzo[f]chromen-1-yl)methyl 4-(2-cyanoethanoylamino)benzoate Openeye Name: (3-oxobenzo[f]chromen-1-yl)methyl 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid (3-oxo-1-benzo[f][1]benzopyranyl)methyl ester IUPAC Name: (3-oxobenzo[f]chromen-1-yl)methyl 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid (3-ketobenzo[f]chromen-1-yl)methyl ester Formula: C24H16N2O5 MolecularWeight: 412.39424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2C(=CC(=O)O3)COC(=O)C4=CC=C(C=C4)NC(=O)CC#N

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2C(=CC(=O)O3)COC(=O)C4=CC=C(C=C4)NC(=O)CC#N

InChI

InChI=1S/C24H16N2O5/c25-12-11-21(27)26-18-8-5-16(6-9-18)24(29)30-14-17-13-22(28)31-20-10-7-15-3-1-2-4-19(15)23(17)20/h1-10,13H,11,14H2,(H,26,27)