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

Systemtic Name: [1-(4-chloranyl-3-nitro-phenyl)-6,7-diethoxy-isoquinolin-3-yl]methyl ethanoate Openeye Name: [1-(4-chloro-3-nitro-phenyl)-6,7-diethoxy-3-isoquinolyl]methyl acetate CAS Name: acetic acid [1-(4-chloro-3-nitrophenyl)-6,7-diethoxy-3-isoquinolinyl]methyl ester IUPAC Name: [1-(4-chloro-3-nitrophenyl)-6,7-diethoxyisoquinolin-3-yl]methyl acetate Traditional Name: acetic acid [1-(4-chloro-3-nitro-phenyl)-6,7-diethoxy-3-isoquinolyl]methyl ester Formula: C22H21ClN2O6 MolecularWeight: 444.86494

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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-])COC(=O)C)OCC

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClN2O6/c1-4-29-20-10-15-8-16(12-31-13(3)26)24-22(17(15)11-21(20)30-5-2)14-6-7-18(23)19(9-14)25(27)28/h6-11H,4-5,12H2,1-3H3