3-azanyl-2-methyl-propanamide; 5-chloranyl-3-(2,4-dichlorophenyl)-6-nitro-1-benzofuran

Systemtic Name: 3-azanyl-2-methyl-propanamide; 5-chloranyl-3-(2,4-dichlorophenyl)-6-nitro-1-benzofuran Openeye Name: 3-amino-2-methyl-propanamide; 5-chloro-3-(2,4-dichlorophenyl)-6-nitro-benzofuran CAS Name: 3-amino-2-methylpropanamide; 5-chloro-3-(2,4-dichlorophenyl)-6-nitrobenzofuran IUPAC Name: 3-amino-2-methylpropanamide; 5-chloro-3-(2,4-dichlorophenyl)-6-nitro-1-benzofuran Traditional Name: 3-amino-2-methyl-propionamide; 5-chloro-3-(2,4-dichlorophenyl)-6-nitro-benzofuran Formula: C18H16Cl3N3O4 MolecularWeight: 444.69634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CN)C(=O)N.C1=CC(=C(C=C1Cl)Cl)C2=COC3=CC(=C(C=C32)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(CN)C(=O)N.C1=CC(=C(C=C1Cl)Cl)C2=COC3=CC(=C(C=C32)Cl)[N+](=O)[O-]

InChI

InChI=1S/C14H6Cl3NO3.C4H10N2O/c15-7-1-2-8(11(16)3-7)10-6-21-14-5-13(18(19)20)12(17)4-9(10)14;1-3(2-5)4(6)7/h1-6H;3H,2,5H2,1H3,(H2,6,7)