methyl 3-[3-(4-methylpiperidin-1-yl)propylcarbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[3-(4-methylpiperidin-1-yl)propylcarbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[3-(4-methyl-1-piperidyl)propylcarbamoyl]-5-nitro-benzoate CAS Name: 3-[[3-(4-methyl-1-piperidinyl)propylamino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[3-(4-methylpiperidin-1-yl)propylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[3-(4-methylpiperidino)propylcarbamoyl]-5-nitro-benzoic acid methyl ester Formula: C18H25N3O5 MolecularWeight: 363.4082

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)CCCNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1CCN(CC1)CCCNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C18H25N3O5/c1-13-4-8-20(9-5-13)7-3-6-19-17(22)14-10-15(18(23)26-2)12-16(11-14)21(24)25/h10-13H,3-9H2,1-2H3,(H,19,22)