2-[(1-chloranylisoquinolin-3-yl)amino]-1-(4-nitrophenyl)ethanol

Systemtic Name: 2-[(1-chloranylisoquinolin-3-yl)amino]-1-(4-nitrophenyl)ethanol Openeye Name: 2-[(1-chloro-3-isoquinolyl)amino]-1-(4-nitrophenyl)ethanol CAS Name: 2-[(1-chloro-3-isoquinolinyl)amino]-1-(4-nitrophenyl)ethanol IUPAC Name: 2-[(1-chloroisoquinolin-3-yl)amino]-1-(4-nitrophenyl)ethanol Traditional Name: 2-[(1-chloro-3-isoquinolyl)amino]-1-(4-nitrophenyl)ethanol Formula: C17H14ClN3O3 MolecularWeight: 343.76436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(N=C2Cl)NCC(C3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(N=C2Cl)NCC(C3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C17H14ClN3O3/c18-17-14-4-2-1-3-12(14)9-16(20-17)19-10-15(22)11-5-7-13(8-6-11)21(23)24/h1-9,15,22H,10H2,(H,19,20)