2-benzamido-4-methyl-3,5-dinitro-pentanoic acid

Systemtic Name: 2-benzamido-4-methyl-3,5-dinitro-pentanoic acid Openeye Name: 2-benzamido-4-methyl-3,5-dinitro-pentanoic acid CAS Name: 2-benzamido-4-methyl-3,5-dinitropentanoic acid IUPAC Name: 2-benzamido-4-methyl-3,5-dinitropentanoic acid Traditional Name: 2-benzamido-4-methyl-3,5-dinitro-valeric acid Formula: C13H15N3O7 MolecularWeight: 325.2741

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O7/c1-8(7-15(20)21)11(16(22)23)10(13(18)19)14-12(17)9-5-3-2-4-6-9/h2-6,8,10-11H,7H2,1H3,(H,14,17)(H,18,19)