O3-[1-[(4-chloranyl-2-methoxy-5-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O3-[1-[(4-chloranyl-2-methoxy-5-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-(4-chloro-2-methoxy-5-methyl-anilino)-1-methyl-2-oxo-ethyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] ester O1-ethyl ester IUPAC Name: 3-O-[1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 1-O-ethyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(4-chloro-2-methoxy-5-methyl-anilino)-2-keto-1-methyl-ethyl] ester O1-ethyl ester Formula: C21H21ClN2O8 MolecularWeight: 464.85304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC(C)C(=O)NC2=C(C=C(C(=C2)C)Cl)OC

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC(C)C(=O)NC2=C(C=C(C(=C2)C)Cl)OC

InChI

InChI=1S/C21H21ClN2O8/c1-5-31-20(26)13-7-14(9-15(8-13)24(28)29)21(27)32-12(3)19(25)23-17-6-11(2)16(22)10-18(17)30-4/h6-10,12H,5H2,1-4H3,(H,23,25)