propan-2-yl 4-[(2,4-dinitrophenyl)amino]butanoate

Systemtic Name: propan-2-yl 4-[(2,4-dinitrophenyl)amino]butanoate Openeye Name: isopropyl 4-(2,4-dinitroanilino)butanoate CAS Name: 4-(2,4-dinitroanilino)butanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-(2,4-dinitroanilino)butanoate Traditional Name: 4-(2,4-dinitroanilino)butyric acid isopropyl ester Formula: C13H17N3O6 MolecularWeight: 311.29058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CCCNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)OC(=O)CCCNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O6/c1-9(2)22-13(17)4-3-7-14-11-6-5-10(15(18)19)8-12(11)16(20)21/h5-6,8-9,14H,3-4,7H2,1-2H3