[2-[[2,3-bis(chloranyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-(dimethylamino)-5-nitro-benzoate

Systemtic Name: [2-[[2,3-bis(chloranyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-(dimethylamino)-5-nitro-benzoate Openeye Name: [2-(2,3-dichloroanilino)-2-oxo-ethyl] 2-(dimethylamino)-5-nitro-benzoate CAS Name: 2-(dimethylamino)-5-nitrobenzoic acid [2-(2,3-dichloroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dichloroanilino)-2-oxoethyl] 2-(dimethylamino)-5-nitrobenzoate Traditional Name: 2-(dimethylamino)-5-nitro-benzoic acid [2-(2,3-dichloroanilino)-2-keto-ethyl] ester Formula: C17H15Cl2N3O5 MolecularWeight: 412.2241

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15Cl2N3O5/c1-21(2)14-7-6-10(22(25)26)8-11(14)17(24)27-9-15(23)20-13-5-3-4-12(18)16(13)19/h3-8H,9H2,1-2H3,(H,20,23)