3-cyanopropyl 3-methyl-4-oxidanylidene-2-phenyl-chromene-8-carboxylate

Systemtic Name: 3-cyanopropyl 3-methyl-4-oxidanylidene-2-phenyl-chromene-8-carboxylate Openeye Name: 3-cyanopropyl 3-methyl-4-oxo-2-phenyl-chromene-8-carboxylate CAS Name: 3-methyl-4-oxo-2-phenyl-1-benzopyran-8-carboxylic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate Traditional Name: 4-keto-3-methyl-2-phenyl-chromene-8-carboxylic acid 3-cyanopropyl ester Formula: C21H17NO4 MolecularWeight: 347.36398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17NO4/c1-14-18(23)16-10-7-11-17(21(24)25-13-6-5-12-22)20(16)26-19(14)15-8-3-2-4-9-15/h2-4,7-11H,5-6,13H2,1H3