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

Systemtic Name: methyl 3-[3-[methyl-(phenylmethyl)amino]propylcarbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[3-[benzyl(methyl)amino]propylcarbamoyl]-5-nitro-benzoate CAS Name: 3-[[3-[methyl-(phenylmethyl)amino]propylamino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[3-[benzyl(methyl)amino]propylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[3-[benzyl(methyl)amino]propylcarbamoyl]-5-nitro-benzoic acid methyl ester Formula: C20H23N3O5 MolecularWeight: 385.41372

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCNC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC)CC2=CC=CC=C2

Isomeric SMILES

CN(CCCNC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC)CC2=CC=CC=C2

InChI

InChI=1S/C20H23N3O5/c1-22(14-15-7-4-3-5-8-15)10-6-9-21-19(24)16-11-17(20(25)28-2)13-18(12-16)23(26)27/h3-5,7-8,11-13H,6,9-10,14H2,1-2H3,(H,21,24)