3-[(4-methyl-2,6-dinitro-phenyl)amino]propanoate

Systemtic Name: 3-[(4-methyl-2,6-dinitro-phenyl)amino]propanoate Openeye Name: 3-(4-methyl-2,6-dinitro-anilino)propanoate CAS Name: 3-(4-methyl-2,6-dinitroanilino)propanoate IUPAC Name: 3-(4-methyl-2,6-dinitroanilino)propanoate Traditional Name: 3-(4-methyl-2,6-dinitro-anilino)propionate Formula: C10H10N3O6- MolecularWeight: 268.2029

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)[N+](=O)[O-])NCCC(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C(=C1)[N+](=O)[O-])NCCC(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C10H11N3O6/c1-6-4-7(12(16)17)10(8(5-6)13(18)19)11-3-2-9(14)15/h4-5,11H,2-3H2,1H3,(H,14,15)/p-1