dimethyl 2-(2-chloranyl-3-nitro-quinolin-4-yl)propanedioate

Systemtic Name: dimethyl 2-(2-chloranyl-3-nitro-quinolin-4-yl)propanedioate Openeye Name: dimethyl 2-(2-chloro-3-nitro-4-quinolyl)propanedioate CAS Name: 2-(2-chloro-3-nitro-4-quinolinyl)propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-(2-chloro-3-nitroquinolin-4-yl)propanedioate Traditional Name: 2-(2-chloro-3-nitro-4-quinolyl)malonic acid dimethyl ester Formula: C14H11ClN2O6 MolecularWeight: 338.69994

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=C(C(=NC2=CC=CC=C21)Cl)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC(=O)C(C1=C(C(=NC2=CC=CC=C21)Cl)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C14H11ClN2O6/c1-22-13(18)10(14(19)23-2)9-7-5-3-4-6-8(7)16-12(15)11(9)17(20)21/h3-6,10H,1-2H3