2-[(3,4-dichlorophenyl)methyl]-5-nitro-benzoic acid

Systemtic Name: 2-[(3,4-dichlorophenyl)methyl]-5-nitro-benzoic acid Openeye Name: 2-[(3,4-dichlorophenyl)methyl]-5-nitro-benzoic acid CAS Name: 2-[(3,4-dichlorophenyl)methyl]-5-nitrobenzoic acid IUPAC Name: 2-[(3,4-dichlorophenyl)methyl]-5-nitrobenzoic acid Traditional Name: 2-(3,4-dichlorobenzyl)-5-nitro-benzoic acid Formula: C14H9Cl2NO4 MolecularWeight: 326.13156

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O)Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1CC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O)Cl)Cl

InChI

InChI=1S/C14H9Cl2NO4/c15-12-4-1-8(6-13(12)16)5-9-2-3-10(17(20)21)7-11(9)14(18)19/h1-4,6-7H,5H2,(H,18,19)