[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2,4,5-trimethoxybenzoate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2,4,5-trimethoxybenzoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 2,4,5-trimethoxybenzoate CAS Name: 2,4,5-trimethoxybenzoic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 2,4,5-trimethoxybenzoate Traditional Name: 2,4,5-trimethoxybenzoic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C16H18N2O6 MolecularWeight: 334.32392

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)COC(=O)C1=CC(=C(C=C1OC)OC)OC)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC(=O)C1=CC(=C(C=C1OC)OC)OC)/N

InChI

InChI=1S/C16H18N2O6/c1-9(18)11(7-17)12(19)8-24-16(20)10-5-14(22-3)15(23-4)6-13(10)21-2/h5-6H,8,18H2,1-4H3/b11-9+