3-(1,3-benzodioxol-5-ylmethylcarbamoyl)-1-butyl-4-oxidanylidene-quinolin-2-olate

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethylcarbamoyl)-1-butyl-4-oxidanylidene-quinolin-2-olate Openeye Name: 3-(1,3-benzodioxol-5-ylmethylcarbamoyl)-1-butyl-4-oxo-quinolin-2-olate CAS Name: 3-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]-1-butyl-4-oxo-2-quinolinolate IUPAC Name: 3-(1,3-benzodioxol-5-ylmethylcarbamoyl)-1-butyl-4-oxoquinolin-2-olate Traditional Name: 1-butyl-4-keto-3-(piperonylcarbamoyl)quinolin-2-olate Formula: C22H21N2O5- MolecularWeight: 393.41254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2C(=O)C(=C1[O-])C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCN1C2=CC=CC=C2C(=O)C(=C1[O-])C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H22N2O5/c1-2-3-10-24-16-7-5-4-6-15(16)20(25)19(22(24)27)21(26)23-12-14-8-9-17-18(11-14)29-13-28-17/h4-9,11,27H,2-3,10,12-13H2,1H3,(H,23,26)/p-1