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

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 3-azanyl-4-chloranyl-benzoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 3-amino-4-chloro-benzoate CAS Name: 3-amino-4-chlorobenzoic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 3-amino-4-chlorobenzoate Traditional Name: 3-amino-4-chloro-benzoic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C13H12ClN3O3 MolecularWeight: 293.70568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12ClN3O3/c1-7(16)9(5-15)12(18)6-20-13(19)8-2-3-10(14)11(17)4-8/h2-4H,6,16-17H2,1H3/b9-7+