[3-[(2-cyanophenyl)amino]-3-oxidanylidene-propyl] 2,4,5-trimethoxybenzoate

Systemtic Name: [3-[(2-cyanophenyl)amino]-3-oxidanylidene-propyl] 2,4,5-trimethoxybenzoate Openeye Name: [3-(2-cyanoanilino)-3-oxo-propyl] 2,4,5-trimethoxybenzoate CAS Name: 2,4,5-trimethoxybenzoic acid [3-(2-cyanoanilino)-3-oxopropyl] ester IUPAC Name: [3-(2-cyanoanilino)-3-oxopropyl] 2,4,5-trimethoxybenzoate Traditional Name: 2,4,5-trimethoxybenzoic acid [3-(2-cyanoanilino)-3-keto-propyl] ester Formula: C20H20N2O6 MolecularWeight: 384.3826

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OCCC(=O)NC2=CC=CC=C2C#N)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCCC(=O)NC2=CC=CC=C2C#N)OC)OC

InChI

InChI=1S/C20H20N2O6/c1-25-16-11-18(27-3)17(26-2)10-14(16)20(24)28-9-8-19(23)22-15-7-5-4-6-13(15)12-21/h4-7,10-11H,8-9H2,1-3H3,(H,22,23)