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

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

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