methyl 3-nitro-5-[2-(4-propan-2-yloxyphenyl)ethylcarbamoyl]benzoate

Systemtic Name: methyl 3-nitro-5-[2-(4-propan-2-yloxyphenyl)ethylcarbamoyl]benzoate Openeye Name: methyl 3-[2-(4-isopropoxyphenyl)ethylcarbamoyl]-5-nitro-benzoate CAS Name: 3-nitro-5-[oxo-[2-(4-propan-2-yloxyphenyl)ethylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-5-[2-(4-propan-2-yloxyphenyl)ethylcarbamoyl]benzoate Traditional Name: 3-[2-(4-isopropoxyphenyl)ethylcarbamoyl]-5-nitro-benzoic acid methyl ester Formula: C20H22N2O6 MolecularWeight: 386.39848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)CCNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)CCNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C20H22N2O6/c1-13(2)28-18-6-4-14(5-7-18)8-9-21-19(23)15-10-16(20(24)27-3)12-17(11-15)22(25)26/h4-7,10-13H,8-9H2,1-3H3,(H,21,23)