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

Systemtic Name: 4-[(3,5-dinitrophenyl)carbonylamino]butanoic acid Openeye Name: 4-[(3,5-dinitrobenzoyl)amino]butanoic acid CAS Name: 4-[[(3,5-dinitrophenyl)-oxomethyl]amino]butanoic acid IUPAC Name: 4-[(3,5-dinitrobenzoyl)amino]butanoic acid Traditional Name: 4-[(3,5-dinitrobenzoyl)amino]butyric acid Formula: C11H11N3O7 MolecularWeight: 297.22094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)NCCCC(=O)O

Isomeric SMILES

C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)NCCCC(=O)O

InChI

InChI=1S/C11H11N3O7/c15-10(16)2-1-3-12-11(17)7-4-8(13(18)19)6-9(5-7)14(20)21/h4-6H,1-3H2,(H,12,17)(H,15,16)