[2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2,6-bis(chloranyl)benzoate

Systemtic Name: [2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2,6-bis(chloranyl)benzoate Openeye Name: [2-(2-cyano-4-nitro-anilino)-2-oxo-ethyl] 2,6-dichlorobenzoate CAS Name: 2,6-dichlorobenzoic acid [2-(2-cyano-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyano-4-nitroanilino)-2-oxoethyl] 2,6-dichlorobenzoate Traditional Name: 2,6-dichlorobenzoic acid [2-(2-cyano-4-nitro-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(=C1)Cl)C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)Cl

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)Cl

InChI

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