(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 3-nitro-4-piperidin-1-yl-benzoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C18H20N4O5 MolecularWeight: 372.3752

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1=CC(=C(C=C1)N2CCCCC2)[N+](=O)[O-]

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C1=CC(=C(C=C1)N2CCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O5/c1-12(20)14(10-19)17(23)11-27-18(24)13-5-6-15(16(9-13)22(25)26)21-7-3-2-4-8-21/h5-6,9,14,20H,2-4,7-8,11H2,1H3