[2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-2-nitro-benzoate

Systemtic Name: [2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-2-nitro-benzoate Openeye Name: [2-(3-chloro-4-cyano-anilino)-2-oxo-ethyl] 4-chloro-2-nitro-benzoate CAS Name: 4-chloro-2-nitrobenzoic acid [2-(3-chloro-4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 4-chloro-2-nitrobenzoate Traditional Name: 4-chloro-2-nitro-benzoic acid [2-(3-chloro-4-cyano-anilino)-2-keto-ethyl] ester Formula: C16H9Cl2N3O5 MolecularWeight: 394.16576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)COC(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-])Cl)C#N

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)COC(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-])Cl)C#N

InChI

InChI=1S/C16H9Cl2N3O5/c17-10-2-4-12(14(5-10)21(24)25)16(23)26-8-15(22)20-11-3-1-9(7-19)13(18)6-11/h1-6H,8H2,(H,20,22)