methyl 4-(6-cyano-7-ethoxy-7-oxidanylidene-hept-1-en-2-yl)benzoate

Systemtic Name: methyl 4-(6-cyano-7-ethoxy-7-oxidanylidene-hept-1-en-2-yl)benzoate Openeye Name: methyl 4-(5-cyano-6-ethoxy-1-methylene-6-oxo-hexyl)benzoate CAS Name: 4-(6-cyano-7-ethoxy-7-oxohept-1-en-2-yl)benzoic acid methyl ester IUPAC Name: methyl 4-(6-cyano-7-ethoxy-7-oxohept-1-en-2-yl)benzoate Traditional Name: 4-[1-(4-cyano-5-ethoxy-5-keto-pentyl)vinyl]benzoic acid methyl ester Formula: C18H21NO4 MolecularWeight: 315.36364

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCC(=C)C1=CC=C(C=C1)C(=O)OC)C#N

Isomeric SMILES

CCOC(=O)C(CCCC(=C)C1=CC=C(C=C1)C(=O)OC)C#N

InChI

InChI=1S/C18H21NO4/c1-4-23-18(21)16(12-19)7-5-6-13(2)14-8-10-15(11-9-14)17(20)22-3/h8-11,16H,2,4-7H2,1,3H3