3-cyanopropyl 2,3,4-trimethoxybenzoate

Systemtic Name: 3-cyanopropyl 2,3,4-trimethoxybenzoate Openeye Name: 3-cyanopropyl 2,3,4-trimethoxybenzoate CAS Name: 2,3,4-trimethoxybenzoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 2,3,4-trimethoxybenzoate Traditional Name: 2,3,4-trimethoxybenzoic acid 3-cyanopropyl ester Formula: C14H17NO5 MolecularWeight: 279.28848

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C(=O)OCCCC#N)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C(=O)OCCCC#N)OC)OC

InChI

InChI=1S/C14H17NO5/c1-17-11-7-6-10(12(18-2)13(11)19-3)14(16)20-9-5-4-8-15/h6-7H,4-5,9H2,1-3H3