[2-[2-(2,4-dimethylphenoxy)ethylamino]-2-oxidanylidene-ethyl] 4-chloranyl-3-nitro-benzoate

Systemtic Name: [2-[2-(2,4-dimethylphenoxy)ethylamino]-2-oxidanylidene-ethyl] 4-chloranyl-3-nitro-benzoate Openeye Name: [2-[2-(2,4-dimethylphenoxy)ethylamino]-2-oxo-ethyl] 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid [2-[2-(2,4-dimethylphenoxy)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(2,4-dimethylphenoxy)ethylamino]-2-oxoethyl] 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid [2-[2-(2,4-dimethylphenoxy)ethylamino]-2-keto-ethyl] ester Formula: C19H19ClN2O6 MolecularWeight: 406.81696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCNC(=O)COC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)OCCNC(=O)COC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C

InChI

InChI=1S/C19H19ClN2O6/c1-12-3-6-17(13(2)9-12)27-8-7-21-18(23)11-28-19(24)14-4-5-15(20)16(10-14)22(25)26/h3-6,9-10H,7-8,11H2,1-2H3,(H,21,23)