2-azanyl-3-[2-(3,5-dinitrophenyl)carbonylphenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[2-(3,5-dinitrophenyl)carbonylphenyl]propanoic acid Openeye Name: 2-amino-3-[2-(3,5-dinitrobenzoyl)phenyl]propanoic acid CAS Name: 2-amino-3-[2-[(3,5-dinitrophenyl)-oxomethyl]phenyl]propanoic acid IUPAC Name: 2-amino-3-[2-(3,5-dinitrobenzoyl)phenyl]propanoic acid Traditional Name: 2-amino-3-[2-(3,5-dinitrobenzoyl)phenyl]propionic acid Formula: C16H13N3O7 MolecularWeight: 359.29032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N3O7/c17-14(16(21)22)7-9-3-1-2-4-13(9)15(20)10-5-11(18(23)24)8-12(6-10)19(25)26/h1-6,8,14H,7,17H2,(H,21,22)