methyl 3-[[1-(2,2-dimethylpropanoyl)piperidin-4-yl]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[1-(2,2-dimethylpropanoyl)piperidin-4-yl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[1-(2,2-dimethylpropanoyl)-4-piperidyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[1-(2,2-dimethyl-1-oxopropyl)-4-piperidinyl]amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[1-(2,2-dimethylpropanoyl)piperidin-4-yl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-nitro-5-[(1-pivaloyl-4-piperidyl)carbamoyl]benzoic acid methyl ester Formula: C19H25N3O6 MolecularWeight: 391.4183

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)N1CCC(CC1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(C)(C)C(=O)N1CCC(CC1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C19H25N3O6/c1-19(2,3)18(25)21-7-5-14(6-8-21)20-16(23)12-9-13(17(24)28-4)11-15(10-12)22(26)27/h9-11,14H,5-8H2,1-4H3,(H,20,23)