methyl 3-[2-[methyl(phenyl)amino]propylcarbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[2-[methyl(phenyl)amino]propylcarbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[2-(N-methylanilino)propylcarbamoyl]-5-nitro-benzoate CAS Name: 3-[[2-(N-methylanilino)propylamino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[2-(N-methylanilino)propylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[2-(N-methylanilino)propylcarbamoyl]-5-nitro-benzoic acid methyl ester Formula: C19H21N3O5 MolecularWeight: 371.38714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O5/c1-13(21(2)16-7-5-4-6-8-16)12-20-18(23)14-9-15(19(24)27-3)11-17(10-14)22(25)26/h4-11,13H,12H2,1-3H3,(H,20,23)