[2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 2-(4-methylpiperidin-1-yl)-5-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 2-(4-methylpiperidin-1-yl)-5-nitro-benzoate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] 2-(4-methyl-1-piperidyl)-5-nitro-benzoate CAS Name: 2-(4-methyl-1-piperidinyl)-5-nitrobenzoic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] 2-(4-methylpiperidin-1-yl)-5-nitrobenzoate Traditional Name: 2-(4-methylpiperidino)-5-nitro-benzoic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C20H29N3O5 MolecularWeight: 391.46136

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCC(CC2)C

Isomeric SMILES

CCC(CC)NC(=O)COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCC(CC2)C

InChI

InChI=1S/C20H29N3O5/c1-4-15(5-2)21-19(24)13-28-20(25)17-12-16(23(26)27)6-7-18(17)22-10-8-14(3)9-11-22/h6-7,12,14-15H,4-5,8-11,13H2,1-3H3,(H,21,24)