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

Systemtic Name: O3-[1-[(3-chloranyl-4-cyano-phenyl)amino]-1-oxidanylidene-propan-2-yl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-(3-chloro-4-cyano-anilino)-1-methyl-2-oxo-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[1-(3-chloro-4-cyanoanilino)-1-oxopropan-2-yl] ester O1-methyl ester IUPAC Name: 3-O-[1-(3-chloro-4-cyanoanilino)-1-oxopropan-2-yl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(3-chloro-4-cyano-anilino)-2-keto-1-methyl-ethyl] ester O1-methyl ester Formula: C19H14ClN3O7 MolecularWeight: 431.78336

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)C#N)Cl)OC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)C#N)Cl)OC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H14ClN3O7/c1-10(17(24)22-14-4-3-11(9-21)16(20)8-14)30-19(26)13-5-12(18(25)29-2)6-15(7-13)23(27)28/h3-8,10H,1-2H3,(H,22,24)