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

Systemtic Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] pyridine-3-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] pyridine-3-carboxylate Traditional Name: nicotinic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C16H14N2O5 MolecularWeight: 314.29276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O5/c1-10(23-16(20)11-3-2-6-17-8-11)15(19)18-12-4-5-13-14(7-12)22-9-21-13/h2-8,10H,9H2,1H3,(H,18,19)