1-cyanoethyl 3-methyl-4-oxidanylidene-2-phenyl-chromene-8-carboxylate

Systemtic Name: 1-cyanoethyl 3-methyl-4-oxidanylidene-2-phenyl-chromene-8-carboxylate Openeye Name: 1-cyanoethyl 3-methyl-4-oxo-2-phenyl-chromene-8-carboxylate CAS Name: 3-methyl-4-oxo-2-phenyl-1-benzopyran-8-carboxylic acid 1-cyanoethyl ester IUPAC Name: 1-cyanoethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate Traditional Name: 4-keto-3-methyl-2-phenyl-chromene-8-carboxylic acid 1-cyanoethyl ester Formula: C20H15NO4 MolecularWeight: 333.3374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15NO4/c1-12(11-21)24-20(23)16-10-6-9-15-17(22)13(2)18(25-19(15)16)14-7-4-3-5-8-14/h3-10,12H,1-2H3