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

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 4-(dimethylamino)-3-nitro-benzoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C15H16N4O5 MolecularWeight: 332.31134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N4O5/c1-9(17)11(7-16)14(20)8-24-15(21)10-4-5-12(18(2)3)13(6-10)19(22)23/h4-6,11,17H,8H2,1-3H3