[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 3-chloranylbenzoate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 3-chloranylbenzoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 3-chlorobenzoate CAS Name: 3-chlorobenzoic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 3-chlorobenzoate Traditional Name: 3-chlorobenzoic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C13H11ClN2O3 MolecularWeight: 278.69104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11ClN2O3/c1-8(16)11(6-15)12(17)7-19-13(18)9-3-2-4-10(14)5-9/h2-5H,7,16H2,1H3/b11-8+