O3-[2-(butan-2-ylamino)-2-oxidanylidene-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O3-[2-(butan-2-ylamino)-2-oxidanylidene-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-methyl O3-[2-oxo-2-(sec-butylamino)ethyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(butan-2-ylamino)-2-oxoethyl] ester O1-methyl ester IUPAC Name: 3-O-[2-(butan-2-ylamino)-2-oxoethyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-keto-2-(sec-butylamino)ethyl] ester O1-methyl ester Formula: C15H18N2O7 MolecularWeight: 338.31262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)COC(=O)C1=CC(=CC(=C1)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CCC(C)NC(=O)COC(=O)C1=CC(=CC(=C1)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C15H18N2O7/c1-4-9(2)16-13(18)8-24-15(20)11-5-10(14(19)23-3)6-12(7-11)17(21)22/h5-7,9H,4,8H2,1-3H3,(H,16,18)