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

Systemtic Name: [2-[[3,5-bis(chloranyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-(dimethylamino)-5-nitro-benzoate Openeye Name: [2-(3,5-dichloroanilino)-2-oxo-ethyl] 2-(dimethylamino)-5-nitro-benzoate CAS Name: 2-(dimethylamino)-5-nitrobenzoic acid [2-(3,5-dichloroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dichloroanilino)-2-oxoethyl] 2-(dimethylamino)-5-nitrobenzoate Traditional Name: 2-(dimethylamino)-5-nitro-benzoic acid [2-(3,5-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=CC(=CC(=C2)Cl)Cl

Isomeric SMILES

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

InChI

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