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

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 4-bromanyl-3-nitro-benzoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C13H10BrN3O5 MolecularWeight: 368.1396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10BrN3O5/c1-7(16)9(5-15)12(18)6-22-13(19)8-2-3-10(14)11(4-8)17(20)21/h2-4,9,16H,6H2,1H3