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

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-chloranyl-4-nitro-benzoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-nitro-benzoic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C13H10ClN3O5 MolecularWeight: 323.6886

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)[N+](=O)[O-])Cl

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H10ClN3O5/c1-7(16)10(5-15)12(18)6-22-13(19)9-3-2-8(17(20)21)4-11(9)14/h2-4,10,16H,6H2,1H3