(3-cyanophenyl)methyl 3-methyl-4-oxidanylidene-2-phenyl-chromene-8-carboxylate

Systemtic Name: (3-cyanophenyl)methyl 3-methyl-4-oxidanylidene-2-phenyl-chromene-8-carboxylate Openeye Name: (3-cyanophenyl)methyl 3-methyl-4-oxo-2-phenyl-chromene-8-carboxylate CAS Name: 3-methyl-4-oxo-2-phenyl-1-benzopyran-8-carboxylic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate Traditional Name: 4-keto-3-methyl-2-phenyl-chromene-8-carboxylic acid (3-cyanobenzyl) ester Formula: C25H17NO4 MolecularWeight: 395.40678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C(C1=O)C=CC=C2C(=O)OCC3=CC=CC(=C3)C#N)C4=CC=CC=C4

Isomeric SMILES

CC1=C(OC2=C(C1=O)C=CC=C2C(=O)OCC3=CC=CC(=C3)C#N)C4=CC=CC=C4

InChI

InChI=1S/C25H17NO4/c1-16-22(27)20-11-6-12-21(24(20)30-23(16)19-9-3-2-4-10-19)25(28)29-15-18-8-5-7-17(13-18)14-26/h2-13H,15H2,1H3