methyl 3-[1-(2,4-dichlorophenyl)ethylcarbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[1-(2,4-dichlorophenyl)ethylcarbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[1-(2,4-dichlorophenyl)ethylcarbamoyl]-5-nitro-benzoate CAS Name: 3-[[1-(2,4-dichlorophenyl)ethylamino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[1-(2,4-dichlorophenyl)ethylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[1-(2,4-dichlorophenyl)ethylcarbamoyl]-5-nitro-benzoic acid methyl ester Formula: C17H14Cl2N2O5 MolecularWeight: 397.20946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14Cl2N2O5/c1-9(14-4-3-12(18)8-15(14)19)20-16(22)10-5-11(17(23)26-2)7-13(6-10)21(24)25/h3-9H,1-2H3,(H,20,22)