5-(3-azanyl-2,4,6-trimethyl-phenyl)-2-(1-oxidanylbutylidene)cyclohexane-1,3-dione

Systemtic Name: 5-(3-azanyl-2,4,6-trimethyl-phenyl)-2-(1-oxidanylbutylidene)cyclohexane-1,3-dione Openeye Name: 5-(3-amino-2,4,6-trimethyl-phenyl)-2-(1-hydroxybutylidene)cyclohexane-1,3-dione CAS Name: 5-(3-amino-2,4,6-trimethylphenyl)-2-(1-hydroxybutylidene)cyclohexane-1,3-dione IUPAC Name: 5-(3-amino-2,4,6-trimethylphenyl)-2-(1-hydroxybutylidene)cyclohexane-1,3-dione Traditional Name: 5-(3-amino-2,4,6-trimethyl-phenyl)-2-(1-hydroxybutylidene)cyclohexane-1,3-quinone Formula: C19H25NO3 MolecularWeight: 315.4067

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=C1C(=O)CC(CC1=O)C2=C(C(=C(C=C2C)C)N)C)O

Isomeric SMILES

CCCC(=C1C(=O)CC(CC1=O)C2=C(C(=C(C=C2C)C)N)C)O

InChI

InChI=1S/C19H25NO3/c1-5-6-14(21)18-15(22)8-13(9-16(18)23)17-10(2)7-11(3)19(20)12(17)4/h7,13,21H,5-6,8-9,20H2,1-4H3