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

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 4-(4-chloranyl-2-nitro-phenoxy)benzoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 4-(4-chloro-2-nitro-phenoxy)benzoate CAS Name: 4-(4-chloro-2-nitrophenoxy)benzoic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 4-(4-chloro-2-nitrophenoxy)benzoate Traditional Name: 4-(4-chloro-2-nitro-phenoxy)benzoic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C19H14ClN3O6 MolecularWeight: 415.78396

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)COC(=O)C1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)[N+](=O)[O-])N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC(=O)C1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)[N+](=O)[O-])/N

InChI

InChI=1S/C19H14ClN3O6/c1-11(22)15(9-21)17(24)10-28-19(25)12-2-5-14(6-3-12)29-18-7-4-13(20)8-16(18)23(26)27/h2-8H,10,22H2,1H3/b15-11+