[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 2,3-dimethylquinoline-4-carboxylate

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 2,3-dimethylquinoline-4-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl] 2,3-dimethylquinoline-4-carboxylate CAS Name: 2,3-dimethyl-4-quinolinecarboxylic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 2,3-dimethylquinoline-4-carboxylate Traditional Name: 2,3-dimethylcinchoninic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl] ester Formula: C21H18N2O5 MolecularWeight: 378.37802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N=C1C)C(=O)OCC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(C2=CC=CC=C2N=C1C)C(=O)OCC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H18N2O5/c1-12-13(2)22-16-6-4-3-5-15(16)20(12)21(25)26-10-19(24)23-14-7-8-17-18(9-14)28-11-27-17/h3-9H,10-11H2,1-2H3,(H,23,24)