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

Systemtic Name: O3-[1-[(5-chloranyl-2-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-(5-chloro-2-methyl-anilino)-1-methyl-2-oxo-ethyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] ester O1-ethyl ester IUPAC Name: 3-O-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] 1-O-ethyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(5-chloro-2-methyl-anilino)-2-keto-1-methyl-ethyl] ester O1-ethyl ester Formula: C20H19ClN2O7 MolecularWeight: 434.82706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN2O7/c1-4-29-19(25)13-7-14(9-16(8-13)23(27)28)20(26)30-12(3)18(24)22-17-10-15(21)6-5-11(17)2/h5-10,12H,4H2,1-3H3,(H,22,24)