ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-nitro-benzoate benzoate

Systemtic Name: ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-nitro-benzoate benzoate Openeye Name: ethyl 2-(tert-butoxycarbonylamino)-3-nitro-benzoate benzoate CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-nitrobenzoic acid ethyl ester benzoate IUPAC Name: ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-nitrobenzoate benzoate Traditional Name: 2-(tert-butoxycarbonylamino)-3-nitro-benzoic acid ethyl ester benzoate Formula: C21H23N2O8- MolecularWeight: 431.41592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)OC(C)(C)C.C1=CC=C(C=C1)C(=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)OC(C)(C)C.C1=CC=C(C=C1)C(=O)[O-]

InChI

InChI=1S/C14H18N2O6.C7H6O2/c1-5-21-12(17)9-7-6-8-10(16(19)20)11(9)15-13(18)22-14(2,3)4;8-7(9)6-4-2-1-3-5-6/h6-8H,5H2,1-4H3,(H,15,18);1-5H,(H,8,9)/p-1