[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 3-nitrobenzoate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 3-nitrobenzoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C13H11N3O5 MolecularWeight: 289.24354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N3O5/c1-8(15)11(6-14)12(17)7-21-13(18)9-3-2-4-10(5-9)16(19)20/h2-5H,7,15H2,1H3/b11-8+