[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 1-ethyl-7-methyl-4-oxidanylidene-1,8-naphthyridine-3-carboxylate

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 1-ethyl-7-methyl-4-oxidanylidene-1,8-naphthyridine-3-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate CAS Name: 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate Traditional Name: 1-ethyl-4-keto-7-methyl-1,8-naphthyridine-3-carboxylic acid [2-keto-2-(piperonylamino)ethyl] ester Formula: C22H21N3O6 MolecularWeight: 423.41864

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)OCC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)OCC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H21N3O6/c1-3-25-10-16(20(27)15-6-4-13(2)24-21(15)25)22(28)29-11-19(26)23-9-14-5-7-17-18(8-14)31-12-30-17/h4-8,10H,3,9,11-12H2,1-2H3,(H,23,26)