(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-azanyl-4-chloranyl-benzoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-azanyl-4-chloranyl-benzoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 2-amino-4-chloro-benzoate CAS Name: 2-amino-4-chlorobenzoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 2-amino-4-chlorobenzoate Traditional Name: 2-amino-4-chloro-benzoic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C13H12ClN3O3 MolecularWeight: 293.70568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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