[(3S)-4-azanyl-3-cyano-2-oxidanylidene-pent-4-enyl] 4-methanoylbenzoate

Systemtic Name: [(3S)-4-azanyl-3-cyano-2-oxidanylidene-pent-4-enyl] 4-methanoylbenzoate Openeye Name: [(3S)-4-amino-3-cyano-2-oxo-pent-4-enyl] 4-formylbenzoate CAS Name: 4-formylbenzoic acid [(3S)-4-amino-3-cyano-2-oxopent-4-enyl] ester IUPAC Name: [(3S)-4-amino-3-cyano-2-oxopent-4-enyl] 4-formylbenzoate Traditional Name: 4-formylbenzoic acid [(3S)-4-amino-3-cyano-2-keto-pent-4-enyl] ester Formula: C14H12N2O4 MolecularWeight: 272.25608

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C(C#N)C(=O)COC(=O)C1=CC=C(C=C1)C=O)N

Isomeric SMILES

C=C([C@@H](C#N)C(=O)COC(=O)C1=CC=C(C=C1)C=O)N

InChI

InChI=1S/C14H12N2O4/c1-9(16)12(6-15)13(18)8-20-14(19)11-4-2-10(7-17)3-5-11/h2-5,7,12H,1,8,16H2/t12-/m1/s1