[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 5-chloranyl-2-methoxy-benzoate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 5-chloranyl-2-methoxy-benzoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 5-chloro-2-methoxy-benzoate CAS Name: 5-chloro-2-methoxybenzoic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 5-chloro-2-methoxybenzoate Traditional Name: 5-chloro-2-methoxy-benzoic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C14H13ClN2O4 MolecularWeight: 308.71702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13ClN2O4/c1-8(17)11(6-16)12(18)7-21-14(19)10-5-9(15)3-4-13(10)20-2/h3-5H,7,17H2,1-2H3/b11-8+