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

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-morpholin-4-yl-5-nitro-benzoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 2-morpholino-5-nitro-benzoate CAS Name: 2-(4-morpholinyl)-5-nitrobenzoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 2-morpholin-4-yl-5-nitrobenzoate Traditional Name: 2-morpholino-5-nitro-benzoic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C17H18N4O6 MolecularWeight: 374.34802

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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-])N2CCOCC2

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCOCC2

InChI

InChI=1S/C17H18N4O6/c1-11(19)14(9-18)16(22)10-27-17(23)13-8-12(21(24)25)2-3-15(13)20-4-6-26-7-5-20/h2-3,8,14,19H,4-7,10H2,1H3