(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 5-nitro-2-pyrrolidin-1-yl-benzoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 5-nitro-2-pyrrolidin-1-yl-benzoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 5-nitro-2-pyrrolidin-1-yl-benzoate CAS Name: 5-nitro-2-(1-pyrrolidinyl)benzoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 5-nitro-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-nitro-2-pyrrolidino-benzoic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C17H18N4O5 MolecularWeight: 358.34862

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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-])N2CCCC2

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCCC2

InChI

InChI=1S/C17H18N4O5/c1-11(19)14(9-18)16(22)10-26-17(23)13-8-12(21(24)25)4-5-15(13)20-6-2-3-7-20/h4-5,8,14,19H,2-3,6-7,10H2,1H3