(2-chloranyl-7-methoxy-quinolin-3-yl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate

Systemtic Name: (2-chloranyl-7-methoxy-quinolin-3-yl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate Openeye Name: (2-chloro-7-methoxy-3-quinolyl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate CAS Name: 6-nitro-1,3-benzodioxole-5-carboxylic acid (2-chloro-7-methoxy-3-quinolinyl)methyl ester IUPAC Name: (2-chloro-7-methoxyquinolin-3-yl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate Traditional Name: 6-nitro-piperonylic acid (2-chloro-7-methoxy-3-quinolyl)methyl ester Formula: C19H13ClN2O7 MolecularWeight: 416.76872

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=NC(=C(C=C2C=C1)COC(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCO4)Cl

Isomeric SMILES

COC1=CC2=NC(=C(C=C2C=C1)COC(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCO4)Cl

InChI

InChI=1S/C19H13ClN2O7/c1-26-12-3-2-10-4-11(18(20)21-14(10)5-12)8-27-19(23)13-6-16-17(29-9-28-16)7-15(13)22(24)25/h2-7H,8-9H2,1H3