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

Systemtic Name: [2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: [2-(isobutylamino)-2-oxo-ethyl] 4-(4-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(4-methyl-1-piperidinyl)-3-nitrobenzoic acid [2-(2-methylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylamino)-2-oxoethyl] 4-(4-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(4-methylpiperidino)-3-nitro-benzoic acid [2-(isobutylamino)-2-keto-ethyl] ester Formula: C19H27N3O5 MolecularWeight: 377.43478

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)NCC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)NCC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C19H27N3O5/c1-13(2)11-20-18(23)12-27-19(24)15-4-5-16(17(10-15)22(25)26)21-8-6-14(3)7-9-21/h4-5,10,13-14H,6-9,11-12H2,1-3H3,(H,20,23)