ethyl 4-methyl-2-[(6-nitro-1,3-benzodioxol-5-yl)carbonyloxymethyl]quinoline-3-carboxylate

Systemtic Name: ethyl 4-methyl-2-[(6-nitro-1,3-benzodioxol-5-yl)carbonyloxymethyl]quinoline-3-carboxylate Openeye Name: ethyl 4-methyl-2-[(6-nitro-1,3-benzodioxole-5-carbonyl)oxymethyl]quinoline-3-carboxylate CAS Name: 4-methyl-2-[[(6-nitro-1,3-benzodioxol-5-yl)-oxomethoxy]methyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[(6-nitro-1,3-benzodioxole-5-carbonyl)oxymethyl]quinoline-3-carboxylate Traditional Name: 4-methyl-2-[(6-nitropiperonyloyl)oxymethyl]quinoline-3-carboxylic acid ethyl ester Formula: C22H18N2O8 MolecularWeight: 438.38692

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1COC(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCO4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1COC(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCO4)C

InChI

InChI=1S/C22H18N2O8/c1-3-29-22(26)20-12(2)13-6-4-5-7-15(13)23-16(20)10-30-21(25)14-8-18-19(32-11-31-18)9-17(14)24(27)28/h4-9H,3,10-11H2,1-2H3