3-chloranyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-5-nitro-benzoic acid

Systemtic Name: 3-chloranyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-5-nitro-benzoic acid Openeye Name: 2-[(1-tert-butoxycarbonyl-4-piperidyl)oxy]-3-chloro-5-nitro-benzoic acid CAS Name: 3-chloro-2-[[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinyl]oxy]-5-nitrobenzoic acid IUPAC Name: 3-chloro-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-5-nitrobenzoic acid Traditional Name: 2-[(1-tert-butoxycarbonyl-4-piperidyl)oxy]-3-chloro-5-nitro-benzoic acid Formula: C17H21ClN2O7 MolecularWeight: 400.81084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)OC2=C(C=C(C=C2C(=O)O)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)OC2=C(C=C(C=C2C(=O)O)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H21ClN2O7/c1-17(2,3)27-16(23)19-6-4-11(5-7-19)26-14-12(15(21)22)8-10(20(24)25)9-13(14)18/h8-9,11H,4-7H2,1-3H3,(H,21,22)