pyridin-4-ylmethyl 3-(1,3-benzodioxol-5-ylmethyl)-2,4-bis(oxidanylidene)-1H-quinazoline-6-carboxylate

Systemtic Name: pyridin-4-ylmethyl 3-(1,3-benzodioxol-5-ylmethyl)-2,4-bis(oxidanylidene)-1H-quinazoline-6-carboxylate Openeye Name: 4-pyridylmethyl 3-(1,3-benzodioxol-5-ylmethyl)-2,4-dioxo-1H-quinazoline-6-carboxylate CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-2,4-dioxo-1H-quinazoline-6-carboxylic acid pyridin-4-ylmethyl ester IUPAC Name: pyridin-4-ylmethyl 3-(1,3-benzodioxol-5-ylmethyl)-2,4-dioxo-1H-quinazoline-6-carboxylate Traditional Name: 2,4-diketo-3-piperonyl-1H-quinazoline-6-carboxylic acid 4-pyridylmethyl ester Formula: C23H17N3O6 MolecularWeight: 431.39758

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4=C(C=CC(=C4)C(=O)OCC5=CC=NC=C5)NC3=O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4=C(C=CC(=C4)C(=O)OCC5=CC=NC=C5)NC3=O

InChI

InChI=1S/C23H17N3O6/c27-21-17-10-16(22(28)30-12-14-5-7-24-8-6-14)2-3-18(17)25-23(29)26(21)11-15-1-4-19-20(9-15)32-13-31-19/h1-10H,11-13H2,(H,25,29)