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

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

COC(=O)C1=CC(=CC(=C1)C(=O)NCCC2=C(C=C(C=C2)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NCCC2=C(C=C(C=C2)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H14Cl2N2O5/c1-26-17(23)12-6-11(7-14(8-12)21(24)25)16(22)20-5-4-10-2-3-13(18)9-15(10)19/h2-3,6-9H,4-5H2,1H3,(H,20,22)