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

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-(2-methoxyethylamino)-5-nitro-benzoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 2-(2-methoxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-methoxyethylamino)-5-nitrobenzoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 2-(2-methoxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-methoxyethylamino)-5-nitro-benzoic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C16H18N4O6 MolecularWeight: 362.33732

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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-])NCCOC

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O6/c1-10(18)13(8-17)15(21)9-26-16(22)12-7-11(20(23)24)3-4-14(12)19-5-6-25-2/h3-4,7,13,18-19H,5-6,9H2,1-2H3