(7-ethoxy-6-methoxy-1-methyl-4-nitro-isoquinolin-3-yl) 4-methoxybenzoate

Systemtic Name: (7-ethoxy-6-methoxy-1-methyl-4-nitro-isoquinolin-3-yl) 4-methoxybenzoate Openeye Name: (7-ethoxy-6-methoxy-1-methyl-4-nitro-3-isoquinolyl) 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid (7-ethoxy-6-methoxy-1-methyl-4-nitro-3-isoquinolinyl) ester IUPAC Name: (7-ethoxy-6-methoxy-1-methyl-4-nitroisoquinolin-3-yl) 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid (7-ethoxy-6-methoxy-1-methyl-4-nitro-3-isoquinolyl) ester Formula: C21H20N2O7 MolecularWeight: 412.3927

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=NC(=C2[N+](=O)[O-])OC(=O)C3=CC=C(C=C3)OC)C)OC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=NC(=C2[N+](=O)[O-])OC(=O)C3=CC=C(C=C3)OC)C)OC

InChI

InChI=1S/C21H20N2O7/c1-5-29-18-10-15-12(2)22-20(19(23(25)26)16(15)11-17(18)28-4)30-21(24)13-6-8-14(27-3)9-7-13/h6-11H,5H2,1-4H3