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

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-oxidanylidene-1-prop-2-enyl-quinolin-2-olate Openeye Name: 1-allyl-3-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-oxo-quinolin-2-olate CAS Name: 3-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]-4-oxo-1-prop-2-enyl-2-quinolinolate IUPAC Name: 3-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-oxo-1-prop-2-enylquinolin-2-olate Traditional Name: 1-allyl-4-keto-3-(piperonylcarbamoyl)quinolin-2-olate Formula: C21H17N2O5- MolecularWeight: 377.37008

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=CC=CC=C2C(=O)C(=C1[O-])C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C=CCN1C2=CC=CC=C2C(=O)C(=C1[O-])C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H18N2O5/c1-2-9-23-15-6-4-3-5-14(15)19(24)18(21(23)26)20(25)22-11-13-7-8-16-17(10-13)28-12-27-16/h2-8,10,26H,1,9,11-12H2,(H,22,25)/p-1