dimethyl 2-[(1R,2R)-2-methanoyl-1-(4-nitrophenyl)butyl]propanedioate

Systemtic Name: dimethyl 2-[(1R,2R)-2-methanoyl-1-(4-nitrophenyl)butyl]propanedioate Openeye Name: dimethyl 2-[(1R,2R)-2-formyl-1-(4-nitrophenyl)butyl]propanedioate CAS Name: 2-[(1R,2R)-2-formyl-1-(4-nitrophenyl)butyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(1R,2R)-2-formyl-1-(4-nitrophenyl)butyl]propanedioate Traditional Name: 2-[(1R,2R)-2-formyl-1-(4-nitrophenyl)butyl]malonic acid dimethyl ester Formula: C16H19NO7 MolecularWeight: 337.32456

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C=O)C(C1=CC=C(C=C1)[N+](=O)[O-])C(C(=O)OC)C(=O)OC

Isomeric SMILES

CC[C@@H](C=O)[C@@H](C1=CC=C(C=C1)[N+](=O)[O-])C(C(=O)OC)C(=O)OC

InChI

InChI=1S/C16H19NO7/c1-4-10(9-18)13(14(15(19)23-2)16(20)24-3)11-5-7-12(8-6-11)17(21)22/h5-10,13-14H,4H2,1-3H3/t10-,13-/m0/s1