3-[4-[(3,5-dinitrophenyl)carbonylamino]phenyl]propanoic acid

Systemtic Name: 3-[4-[(3,5-dinitrophenyl)carbonylamino]phenyl]propanoic acid Openeye Name: 3-[4-[(3,5-dinitrobenzoyl)amino]phenyl]propanoic acid CAS Name: 3-[4-[[(3,5-dinitrophenyl)-oxomethyl]amino]phenyl]propanoic acid IUPAC Name: 3-[4-[(3,5-dinitrobenzoyl)amino]phenyl]propanoic acid Traditional Name: 3-[4-[(3,5-dinitrobenzoyl)amino]phenyl]propionic acid Formula: C16H13N3O7 MolecularWeight: 359.29032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(=O)O)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CCC(=O)O)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O7/c20-15(21)6-3-10-1-4-12(5-2-10)17-16(22)11-7-13(18(23)24)9-14(8-11)19(25)26/h1-2,4-5,7-9H,3,6H2,(H,17,22)(H,20,21)