2-chloranyl-3-ethyl-5-nitro-4-phenyl-benzoic acid

Systemtic Name: 2-chloranyl-3-ethyl-5-nitro-4-phenyl-benzoic acid Openeye Name: 2-chloro-3-ethyl-5-nitro-4-phenyl-benzoic acid CAS Name: 2-chloro-3-ethyl-5-nitro-4-phenylbenzoic acid IUPAC Name: 2-chloro-3-ethyl-5-nitro-4-phenylbenzoic acid Traditional Name: 2-chloro-3-ethyl-5-nitro-4-phenyl-benzoic acid Formula: C15H12ClNO4 MolecularWeight: 305.71308

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC(=C1C2=CC=CC=C2)[N+](=O)[O-])C(=O)O)Cl

Isomeric SMILES

CCC1=C(C(=CC(=C1C2=CC=CC=C2)[N+](=O)[O-])C(=O)O)Cl

InChI

InChI=1S/C15H12ClNO4/c1-2-10-13(9-6-4-3-5-7-9)12(17(20)21)8-11(14(10)16)15(18)19/h3-8H,2H2,1H3,(H,18,19)