N-[2-(3-chlorophenyl)-2-oxidanyl-ethyl]-3,4,5-trimethoxy-2-nitro-benzamide

Systemtic Name: N-[2-(3-chlorophenyl)-2-oxidanyl-ethyl]-3,4,5-trimethoxy-2-nitro-benzamide Openeye Name: N-[2-(3-chlorophenyl)-2-hydroxy-ethyl]-3,4,5-trimethoxy-2-nitro-benzamide CAS Name: N-[2-(3-chlorophenyl)-2-hydroxyethyl]-3,4,5-trimethoxy-2-nitrobenzamide IUPAC Name: N-[2-(3-chlorophenyl)-2-hydroxyethyl]-3,4,5-trimethoxy-2-nitrobenzamide Traditional Name: N-[2-(3-chlorophenyl)-2-hydroxy-ethyl]-3,4,5-trimethoxy-2-nitro-benzamide Formula: C18H19ClN2O7 MolecularWeight: 410.80566

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C(=O)NCC(C2=CC(=CC=C2)Cl)O)[N+](=O)[O-])OC)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)C(=O)NCC(C2=CC(=CC=C2)Cl)O)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C18H19ClN2O7/c1-26-14-8-12(15(21(24)25)17(28-3)16(14)27-2)18(23)20-9-13(22)10-5-4-6-11(19)7-10/h4-8,13,22H,9H2,1-3H3,(H,20,23)