1-[4-[2-azanyl-4-(3-oxidanylidenebutanoyl)phenoxy]phenyl]butane-1,3-dione

Systemtic Name: 1-[4-[2-azanyl-4-(3-oxidanylidenebutanoyl)phenoxy]phenyl]butane-1,3-dione Openeye Name: 1-[4-[2-amino-4-(3-oxobutanoyl)phenoxy]phenyl]butane-1,3-dione CAS Name: 1-[4-[2-amino-4-(1,3-dioxobutyl)phenoxy]phenyl]butane-1,3-dione IUPAC Name: 1-[4-[2-amino-4-(3-oxobutanoyl)phenoxy]phenyl]butane-1,3-dione Traditional Name: 1-[4-(4-acetoacetyl-2-amino-phenoxy)phenyl]butane-1,3-dione Formula: C20H19NO5 MolecularWeight: 353.36856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)C1=CC=C(C=C1)OC2=C(C=C(C=C2)C(=O)CC(=O)C)N

Isomeric SMILES

CC(=O)CC(=O)C1=CC=C(C=C1)OC2=C(C=C(C=C2)C(=O)CC(=O)C)N

InChI

InChI=1S/C20H19NO5/c1-12(22)9-18(24)14-3-6-16(7-4-14)26-20-8-5-15(11-17(20)21)19(25)10-13(2)23/h3-8,11H,9-10,21H2,1-2H3