methyl 3-[3-(2,4-dimethylphenyl)propylcarbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[3-(2,4-dimethylphenyl)propylcarbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[3-(2,4-dimethylphenyl)propylcarbamoyl]-5-nitro-benzoate CAS Name: 3-[[3-(2,4-dimethylphenyl)propylamino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[3-(2,4-dimethylphenyl)propylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[3-(2,4-dimethylphenyl)propylcarbamoyl]-5-nitro-benzoic acid methyl ester Formula: C20H22N2O5 MolecularWeight: 370.39908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O5/c1-13-6-7-15(14(2)9-13)5-4-8-21-19(23)16-10-17(20(24)27-3)12-18(11-16)22(25)26/h6-7,9-12H,4-5,8H2,1-3H3,(H,21,23)