[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-morpholin-4-yl-5-nitro-benzoate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-morpholin-4-yl-5-nitro-benzoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 2-morpholino-5-nitro-benzoate CAS Name: 2-(4-morpholinyl)-5-nitrobenzoic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 2-morpholin-4-yl-5-nitrobenzoate Traditional Name: 2-morpholino-5-nitro-benzoic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C17H18N4O6 MolecularWeight: 374.34802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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/h2-3,8H,4-7,10,19H2,1H3/b14-11+