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

Systemtic Name: ethyl 4-[(1,3-benzodioxol-5-ylamino)methyl]-2-oxidanylidene-1H-quinoline-3-carboxylate Openeye Name: ethyl 4-[(1,3-benzodioxol-5-ylamino)methyl]-2-oxo-1H-quinoline-3-carboxylate CAS Name: 4-[(1,3-benzodioxol-5-ylamino)methyl]-2-oxo-1H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(1,3-benzodioxol-5-ylamino)methyl]-2-oxo-1H-quinoline-3-carboxylate Traditional Name: 4-[(1,3-benzodioxol-5-ylamino)methyl]-2-keto-1H-quinoline-3-carboxylic acid ethyl ester Formula: C20H18N2O5 MolecularWeight: 366.36732

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2NC1=O)CNC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2NC1=O)CNC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H18N2O5/c1-2-25-20(24)18-14(13-5-3-4-6-15(13)22-19(18)23)10-21-12-7-8-16-17(9-12)27-11-26-16/h3-9,21H,2,10-11H2,1H3,(H,22,23)