dimethyl 2-(2-chloranyl-4-nitro-phenyl)-2-(phenylmethyl)propanedioate

Systemtic Name: dimethyl 2-(2-chloranyl-4-nitro-phenyl)-2-(phenylmethyl)propanedioate Openeye Name: dimethyl 2-benzyl-2-(2-chloro-4-nitro-phenyl)propanedioate CAS Name: 2-(2-chloro-4-nitrophenyl)-2-(phenylmethyl)propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-benzyl-2-(2-chloro-4-nitrophenyl)propanedioate Traditional Name: 2-benzyl-2-(2-chloro-4-nitro-phenyl)malonic acid dimethyl ester Formula: C18H16ClNO6 MolecularWeight: 377.77574

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)(C2=C(C=C(C=C2)[N+](=O)[O-])Cl)C(=O)OC

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)(C2=C(C=C(C=C2)[N+](=O)[O-])Cl)C(=O)OC

InChI

InChI=1S/C18H16ClNO6/c1-25-16(21)18(17(22)26-2,11-12-6-4-3-5-7-12)14-9-8-13(20(23)24)10-15(14)19/h3-10H,11H2,1-2H3