(2-methyl-4,6-dinitro-phenyl)methyl 3-(pentan-3-ylamino)propanoate

Systemtic Name: (2-methyl-4,6-dinitro-phenyl)methyl 3-(pentan-3-ylamino)propanoate Openeye Name: (2-methyl-4,6-dinitro-phenyl)methyl 3-(1-ethylpropylamino)propanoate CAS Name: 3-(pentan-3-ylamino)propanoic acid (2-methyl-4,6-dinitrophenyl)methyl ester IUPAC Name: (2-methyl-4,6-dinitrophenyl)methyl 3-(pentan-3-ylamino)propanoate Traditional Name: 3-(1-ethylpropylamino)propionic acid (2-methyl-4,6-dinitro-benzyl) ester Formula: C16H23N3O6 MolecularWeight: 353.37032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NCCC(=O)OCC1=C(C=C(C=C1C)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCC(CC)NCCC(=O)OCC1=C(C=C(C=C1C)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H23N3O6/c1-4-12(5-2)17-7-6-16(20)25-10-14-11(3)8-13(18(21)22)9-15(14)19(23)24/h8-9,12,17H,4-7,10H2,1-3H3