3-acetamido-6-nitro-2-(2-phenylethynyl)benzoic acid

Systemtic Name: 3-acetamido-6-nitro-2-(2-phenylethynyl)benzoic acid Openeye Name: 3-acetamido-6-nitro-2-(2-phenylethynyl)benzoic acid CAS Name: 3-acetamido-6-nitro-2-(2-phenylethynyl)benzoic acid IUPAC Name: 3-acetamido-6-nitro-2-(2-phenylethynyl)benzoic acid Traditional Name: 3-acetamido-6-nitro-2-(2-phenylethynyl)benzoic acid Formula: C17H12N2O5 MolecularWeight: 324.28758

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C(=C(C=C1)[N+](=O)[O-])C(=O)O)C#CC2=CC=CC=C2

Isomeric SMILES

CC(=O)NC1=C(C(=C(C=C1)[N+](=O)[O-])C(=O)O)C#CC2=CC=CC=C2

InChI

InChI=1S/C17H12N2O5/c1-11(20)18-14-9-10-15(19(23)24)16(17(21)22)13(14)8-7-12-5-3-2-4-6-12/h2-6,9-10H,1H3,(H,18,20)(H,21,22)