2-(3-deuterio-3-phenyl-butan-2-yl)oxycarbonyl-3-nitro-benzoic acid

Systemtic Name: 2-(3-deuterio-3-phenyl-butan-2-yl)oxycarbonyl-3-nitro-benzoic acid Openeye Name: 2-(2-deuterio-1-methyl-2-phenyl-propoxy)carbonyl-3-nitro-benzoic acid CAS Name: 2-[(3-deuterio-3-phenylbutan-2-yl)oxy-oxomethyl]-3-nitrobenzoic acid IUPAC Name: 2-(3-deuterio-3-phenylbutan-2-yl)oxycarbonyl-3-nitrobenzoic acid Traditional Name: 2-(2-deuterio-1-methyl-2-phenyl-propoxy)carbonyl-3-nitro-benzoic acid Formula: C18H17NO6 MolecularWeight: 344.336842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)C(C)OC(=O)C2=C(C=CC=C2[N+](=O)[O-])C(=O)O

Isomeric SMILES

[2H]C(C)(C1=CC=CC=C1)C(C)OC(=O)C2=C(C=CC=C2[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C18H17NO6/c1-11(13-7-4-3-5-8-13)12(2)25-18(22)16-14(17(20)21)9-6-10-15(16)19(23)24/h3-12H,1-2H3,(H,20,21)/i11D