2-nitro-6-(phenethylcarbamoyl)benzoic acid

Systemtic Name: 2-nitro-6-(phenethylcarbamoyl)benzoic acid Openeye Name: 2-nitro-6-(phenethylcarbamoyl)benzoic acid CAS Name: 2-nitro-6-[oxo-(phenethylamino)methyl]benzoic acid IUPAC Name: 2-nitro-6-(phenethylcarbamoyl)benzoic acid Traditional Name: 2-nitro-6-(phenethylcarbamoyl)benzoic acid Formula: C16H14N2O5 MolecularWeight: 314.29276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O5/c19-15(17-10-9-11-5-2-1-3-6-11)12-7-4-8-13(18(22)23)14(12)16(20)21/h1-8H,9-10H2,(H,17,19)(H,20,21)