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

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]ethanoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 2-[(4-chloro-3-nitro-benzoyl)amino]acetate CAS Name: 2-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]acetic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 2-[(4-chloro-3-nitrobenzoyl)amino]acetate Traditional Name: 2-[(4-chloro-3-nitro-benzoyl)amino]acetic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C15H13ClN4O6 MolecularWeight: 380.73992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13ClN4O6/c1-8(18)10(5-17)13(21)7-26-14(22)6-19-15(23)9-2-3-11(16)12(4-9)20(24)25/h2-4H,6-7,18H2,1H3,(H,19,23)/b10-8+