diethyl 2-[(3-chloranyl-4-nitro-phenyl)methyl]propanedioate

Systemtic Name: diethyl 2-[(3-chloranyl-4-nitro-phenyl)methyl]propanedioate Openeye Name: diethyl 2-[(3-chloro-4-nitro-phenyl)methyl]propanedioate CAS Name: 2-[(3-chloro-4-nitrophenyl)methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(3-chloro-4-nitrophenyl)methyl]propanedioate Traditional Name: 2-(3-chloro-4-nitro-benzyl)malonic acid diethyl ester Formula: C14H16ClNO6 MolecularWeight: 329.73294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC(=C(C=C1)[N+](=O)[O-])Cl)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CC1=CC(=C(C=C1)[N+](=O)[O-])Cl)C(=O)OCC

InChI

InChI=1S/C14H16ClNO6/c1-3-21-13(17)10(14(18)22-4-2)7-9-5-6-12(16(19)20)11(15)8-9/h5-6,8,10H,3-4,7H2,1-2H3