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

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] pyridine-4-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl] ester Formula: C15H12N2O5 MolecularWeight: 300.26618

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)COC(=O)C3=CC=NC=C3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)COC(=O)C3=CC=NC=C3

InChI

InChI=1S/C15H12N2O5/c18-14(8-20-15(19)10-3-5-16-6-4-10)17-11-1-2-12-13(7-11)22-9-21-12/h1-7H,8-9H2,(H,17,18)