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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C1=CC(=C(C=C1)Cl)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/h2-4,9,16H,6,17H2,1H3