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

Systemtic Name: O3-[2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-(3-chloro-4-cyano-anilino)-2-oxo-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] ester O1-methyl ester IUPAC Name: 3-O-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 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-ethyl] ester O1-methyl ester Formula: C18H12ClN3O7 MolecularWeight: 417.75678

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)NC2=CC(=C(C=C2)C#N)Cl

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)NC2=CC(=C(C=C2)C#N)Cl

InChI

InChI=1S/C18H12ClN3O7/c1-28-17(24)11-4-12(6-14(5-11)22(26)27)18(25)29-9-16(23)21-13-3-2-10(8-20)15(19)7-13/h2-7H,9H2,1H3,(H,21,23)