[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 5-nitro-2-pyrrolidin-1-yl-benzoate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 5-nitro-2-pyrrolidin-1-yl-benzoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 5-nitro-2-pyrrolidin-1-yl-benzoate CAS Name: 5-nitro-2-(1-pyrrolidinyl)benzoic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 5-nitro-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-nitro-2-pyrrolidino-benzoic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C17H18N4O5 MolecularWeight: 358.34862

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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-])N2CCCC2)N

Isomeric SMILES

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

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/h4-5,8H,2-3,6-7,10,19H2,1H3/b14-11+