(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 3-nitrobenzoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 3-nitrobenzoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C13H11N3O5 MolecularWeight: 289.24354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N3O5/c1-8(15)11(6-14)12(17)7-21-13(18)9-3-2-4-10(5-9)16(19)20/h2-5,11,15H,7H2,1H3