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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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