2-chloranyl-3-[(4-pentoxyphenyl)amino]naphthalene-1,4-dione

Systemtic Name: 2-chloranyl-3-[(4-pentoxyphenyl)amino]naphthalene-1,4-dione Openeye Name: 2-chloro-3-(4-pentoxyanilino)naphthalene-1,4-dione CAS Name: 2-chloro-3-(4-pentoxyanilino)naphthalene-1,4-dione IUPAC Name: 2-chloro-3-(4-pentoxyanilino)naphthalene-1,4-dione Traditional Name: 2-(4-amoxyanilino)-3-chloro-1,4-naphthoquinone Formula: C21H20ClNO3 MolecularWeight: 369.8414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)NC2=C(C(=O)C3=CC=CC=C3C2=O)Cl

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)NC2=C(C(=O)C3=CC=CC=C3C2=O)Cl

InChI

InChI=1S/C21H20ClNO3/c1-2-3-6-13-26-15-11-9-14(10-12-15)23-19-18(22)20(24)16-7-4-5-8-17(16)21(19)25/h4-5,7-12,23H,2-3,6,13H2,1H3