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

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(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] 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-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=CC(=C(C=C1)N2CCCC2)[N+](=O)[O-])N

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O5/c1-11(19)13(9-18)16(22)10-26-17(23)12-4-5-14(15(8-12)21(24)25)20-6-2-3-7-20/h4-5,8H,2-3,6-7,10,19H2,1H3/b13-11+