methyl 2-(7,8-dimethoxyquinolin-4-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)propanoate

Systemtic Name: methyl 2-(7,8-dimethoxyquinolin-4-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)propanoate Openeye Name: methyl 2-(7,8-dimethoxy-4-quinolyl)-3-(6-nitro-1,3-benzodioxol-5-yl)propanoate CAS Name: 2-(7,8-dimethoxy-4-quinolinyl)-3-(6-nitro-1,3-benzodioxol-5-yl)propanoic acid methyl ester IUPAC Name: methyl 2-(7,8-dimethoxyquinolin-4-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)propanoate Traditional Name: 2-(7,8-dimethoxy-4-quinolyl)-3-(6-nitro-1,3-benzodioxol-5-yl)propionic acid methyl ester Formula: C22H20N2O8 MolecularWeight: 440.4028

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=NC=CC(=C2C=C1)C(CC3=CC4=C(C=C3[N+](=O)[O-])OCO4)C(=O)OC)OC

Isomeric SMILES

COC1=C(C2=NC=CC(=C2C=C1)C(CC3=CC4=C(C=C3[N+](=O)[O-])OCO4)C(=O)OC)OC

InChI

InChI=1S/C22H20N2O8/c1-28-17-5-4-14-13(6-7-23-20(14)21(17)29-2)15(22(25)30-3)8-12-9-18-19(32-11-31-18)10-16(12)24(26)27/h4-7,9-10,15H,8,11H2,1-3H3