[1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-butan-2-yl] quinoxaline-5-carboxylate

Systemtic Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-butan-2-yl] quinoxaline-5-carboxylate Openeye Name: 1-(1,3-benzodioxol-5-ylcarbamoyl)propyl quinoxaline-5-carboxylate CAS Name: 5-quinoxalinecarboxylic acid [1-(1,3-benzodioxol-5-ylamino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxobutan-2-yl] quinoxaline-5-carboxylate Traditional Name: quinoxaline-5-carboxylic acid 1-(1,3-benzodioxol-5-ylcarbamoyl)propyl ester Formula: C20H17N3O5 MolecularWeight: 379.36608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)C3=C4C(=CC=C3)N=CC=N4

Isomeric SMILES

CCC(C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)C3=C4C(=CC=C3)N=CC=N4

InChI

InChI=1S/C20H17N3O5/c1-2-15(19(24)23-12-6-7-16-17(10-12)27-11-26-16)28-20(25)13-4-3-5-14-18(13)22-9-8-21-14/h3-10,15H,2,11H2,1H3,(H,23,24)