[2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxidanylidene-ethyl] 3-methyl-4-nitro-benzoate

Systemtic Name: [2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxidanylidene-ethyl] 3-methyl-4-nitro-benzoate Openeye Name: [2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxo-ethyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxoethyl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [2-[1-(3,4-dichlorophenyl)ethylamino]-2-keto-ethyl] ester Formula: C18H16Cl2N2O5 MolecularWeight: 411.23604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OCC(=O)NC(C)C2=CC(=C(C=C2)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OCC(=O)NC(C)C2=CC(=C(C=C2)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H16Cl2N2O5/c1-10-7-13(4-6-16(10)22(25)26)18(24)27-9-17(23)21-11(2)12-3-5-14(19)15(20)8-12/h3-8,11H,9H2,1-2H3,(H,21,23)