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

Systemtic Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-butan-2-yl] pyridine-3-carboxylate Openeye Name: 1-(1,3-benzodioxol-5-ylcarbamoyl)propyl pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [1-(1,3-benzodioxol-5-ylamino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxobutan-2-yl] pyridine-3-carboxylate Traditional Name: nicotinic acid 1-(1,3-benzodioxol-5-ylcarbamoyl)propyl ester Formula: C17H16N2O5 MolecularWeight: 328.31934

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)C3=CN=CC=C3

Isomeric SMILES

CCC(C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)C3=CN=CC=C3

InChI

InChI=1S/C17H16N2O5/c1-2-13(24-17(21)11-4-3-7-18-9-11)16(20)19-12-5-6-14-15(8-12)23-10-22-14/h3-9,13H,2,10H2,1H3,(H,19,20)