(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-chloranyl-5-nitro-benzoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-chloranyl-5-nitro-benzoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-nitrobenzoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 2-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-nitro-benzoic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C13H10ClN3O5 MolecularWeight: 323.6886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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