(4-nitrophenyl) (1S,2E,3S)-3-chloranyl-2-(chloranylmethylidene)cycloheptane-1-carboxylate

Systemtic Name: (4-nitrophenyl) (1S,2E,3S)-3-chloranyl-2-(chloranylmethylidene)cycloheptane-1-carboxylate Openeye Name: (4-nitrophenyl) (1S,2E,3S)-3-chloro-2-(chloromethylene)cycloheptanecarboxylate CAS Name: (1S,2E,3S)-3-chloro-2-(chloromethylidene)-1-cycloheptanecarboxylic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) (1S,2E,3S)-3-chloro-2-(chloromethylidene)cycloheptane-1-carboxylate Traditional Name: (1S,2E,3S)-3-chloro-2-(chloromethylene)cycloheptanecarboxylic acid (4-nitrophenyl) ester Formula: C15H15Cl2NO4 MolecularWeight: 344.1899

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(=CCl)C(C1)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C1CC[C@@H](/C(=C/Cl)/[C@H](C1)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C15H15Cl2NO4/c16-9-13-12(3-1-2-4-14(13)17)15(19)22-11-7-5-10(6-8-11)18(20)21/h5-9,12,14H,1-4H2/b13-9+/t12-,14-/m0/s1