3-(4-chlorophenyl)-4-nitro-heptanedioic acid

Systemtic Name: 3-(4-chlorophenyl)-4-nitro-heptanedioic acid Openeye Name: 3-(4-chlorophenyl)-4-nitro-heptanedioic acid CAS Name: 3-(4-chlorophenyl)-4-nitroheptanedioic acid IUPAC Name: 3-(4-chlorophenyl)-4-nitroheptanedioic acid Traditional Name: 3-(4-chlorophenyl)-4-nitro-pimelic acid Formula: C13H14ClNO6 MolecularWeight: 315.70636

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(CC(=O)O)C(CCC(=O)O)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1C(CC(=O)O)C(CCC(=O)O)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H14ClNO6/c14-9-3-1-8(2-4-9)10(7-13(18)19)11(15(20)21)5-6-12(16)17/h1-4,10-11H,5-7H2,(H,16,17)(H,18,19)