O1-ethyl O3-[2-(6-methylheptan-2-ylamino)-2-oxidanylidene-ethyl] 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O1-ethyl O3-[2-(6-methylheptan-2-ylamino)-2-oxidanylidene-ethyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-(1,5-dimethylhexylamino)-2-oxo-ethyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[2-(6-methylheptan-2-ylamino)-2-oxoethyl] ester IUPAC Name: 1-O-ethyl 3-O-[2-(6-methylheptan-2-ylamino)-2-oxoethyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(1,5-dimethylhexylamino)-2-keto-ethyl] ester O1-ethyl ester Formula: C20H28N2O7 MolecularWeight: 408.44552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC(=O)NC(C)CCCC(C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC(=O)NC(C)CCCC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H28N2O7/c1-5-28-19(24)15-9-16(11-17(10-15)22(26)27)20(25)29-12-18(23)21-14(4)8-6-7-13(2)3/h9-11,13-14H,5-8,12H2,1-4H3,(H,21,23)