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

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-azanyl-3,5-bis(chloranyl)benzoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 2-amino-3,5-dichloro-benzoate CAS Name: 2-amino-3,5-dichlorobenzoic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 2-amino-3,5-dichlorobenzoate Traditional Name: 2-amino-3,5-dichloro-benzoic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C13H11Cl2N3O3 MolecularWeight: 328.15074

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)COC(=O)C1=CC(=CC(=C1N)Cl)Cl)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC(=O)C1=CC(=CC(=C1N)Cl)Cl)/N

InChI

InChI=1S/C13H11Cl2N3O3/c1-6(17)9(4-16)11(19)5-21-13(20)8-2-7(14)3-10(15)12(8)18/h2-3H,5,17-18H2,1H3/b9-6+