methyl 3-nitro-5-[3-(2,3,5-trimethylphenoxy)propylcarbamoyl]benzoate

Systemtic Name: methyl 3-nitro-5-[3-(2,3,5-trimethylphenoxy)propylcarbamoyl]benzoate Openeye Name: methyl 3-nitro-5-[3-(2,3,5-trimethylphenoxy)propylcarbamoyl]benzoate CAS Name: 3-nitro-5-[oxo-[3-(2,3,5-trimethylphenoxy)propylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-5-[3-(2,3,5-trimethylphenoxy)propylcarbamoyl]benzoate Traditional Name: 3-nitro-5-[3-(2,3,5-trimethylphenoxy)propylcarbamoyl]benzoic acid methyl ester Formula: C21H24N2O6 MolecularWeight: 400.42506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OCCCNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)OCCCNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC)C)C

InChI

InChI=1S/C21H24N2O6/c1-13-8-14(2)15(3)19(9-13)29-7-5-6-22-20(24)16-10-17(21(25)28-4)12-18(11-16)23(26)27/h8-12H,5-7H2,1-4H3,(H,22,24)