[1-(4-chloranyl-3-nitro-phenyl)-6,7-diethoxy-isoquinolin-3-yl]methanol

Systemtic Name: [1-(4-chloranyl-3-nitro-phenyl)-6,7-diethoxy-isoquinolin-3-yl]methanol Openeye Name: [1-(4-chloro-3-nitro-phenyl)-6,7-diethoxy-3-isoquinolyl]methanol CAS Name: [1-(4-chloro-3-nitrophenyl)-6,7-diethoxy-3-isoquinolinyl]methanol IUPAC Name: [1-(4-chloro-3-nitrophenyl)-6,7-diethoxyisoquinolin-3-yl]methanol Traditional Name: [1-(4-chloro-3-nitro-phenyl)-6,7-diethoxy-3-isoquinolyl]methanol Formula: C20H19ClN2O5 MolecularWeight: 402.82826

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C=C(N=C2C3=CC(=C(C=C3)Cl)[N+](=O)[O-])CO)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C=C(N=C2C3=CC(=C(C=C3)Cl)[N+](=O)[O-])CO)OCC

InChI

InChI=1S/C20H19ClN2O5/c1-3-27-18-9-13-7-14(11-24)22-20(15(13)10-19(18)28-4-2)12-5-6-16(21)17(8-12)23(25)26/h5-10,24H,3-4,11H2,1-2H3