methyl 3-[[2-(3-chlorophenyl)-2-oxidanyl-ethyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[2-(3-chlorophenyl)-2-oxidanyl-ethyl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[2-(3-chlorophenyl)-2-hydroxy-ethyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[2-(3-chlorophenyl)-2-hydroxyethyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[2-(3-chlorophenyl)-2-hydroxy-ethyl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C17H15ClN2O6 MolecularWeight: 378.7638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15ClN2O6/c1-26-17(23)12-5-11(7-14(8-12)20(24)25)16(22)19-9-15(21)10-3-2-4-13(18)6-10/h2-8,15,21H,9H2,1H3,(H,19,22)