(1,7-dimethyl-3-oxidanylidene-1,2-dihydroinden-4-yl) 3-cyanobenzoate

Systemtic Name: (1,7-dimethyl-3-oxidanylidene-1,2-dihydroinden-4-yl) 3-cyanobenzoate Openeye Name: (1,7-dimethyl-3-oxo-indan-4-yl) 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid (1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl) ester IUPAC Name: (1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl) 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid (3-keto-1,7-dimethyl-indan-4-yl) ester Formula: C19H15NO3 MolecularWeight: 305.3273

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)C2=C(C=CC(=C12)C)OC(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

CC1CC(=O)C2=C(C=CC(=C12)C)OC(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C19H15NO3/c1-11-6-7-16(18-15(21)8-12(2)17(11)18)23-19(22)14-5-3-4-13(9-14)10-20/h3-7,9,12H,8H2,1-2H3