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

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-chloranyl-4-nitro-benzoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-nitro-benzoic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C13H10ClN3O5 MolecularWeight: 323.6886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10ClN3O5/c1-7(16)10(5-15)12(18)6-22-13(19)9-3-2-8(17(20)21)4-11(9)14/h2-4H,6,16H2,1H3/b10-7+