2-[5-benzamido-2-(1,3-benzodioxol-5-yl)-6-oxidanylidene-pyrimidin-1-yl]ethanoic acid

Systemtic Name: 2-[5-benzamido-2-(1,3-benzodioxol-5-yl)-6-oxidanylidene-pyrimidin-1-yl]ethanoic acid Openeye Name: 2-[5-benzamido-2-(1,3-benzodioxol-5-yl)-6-oxo-pyrimidin-1-yl]acetic acid CAS Name: 2-[5-benzamido-2-(1,3-benzodioxol-5-yl)-6-oxo-1-pyrimidinyl]acetic acid IUPAC Name: 2-[5-benzamido-2-(1,3-benzodioxol-5-yl)-6-oxopyrimidin-1-yl]acetic acid Traditional Name: 2-[5-benzamido-2-(1,3-benzodioxol-5-yl)-6-keto-pyrimidin-1-yl]acetic acid Formula: C20H15N3O6 MolecularWeight: 393.3496

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NC=C(C(=O)N3CC(=O)O)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NC=C(C(=O)N3CC(=O)O)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H15N3O6/c24-17(25)10-23-18(13-6-7-15-16(8-13)29-11-28-15)21-9-14(20(23)27)22-19(26)12-4-2-1-3-5-12/h1-9H,10-11H2,(H,22,26)(H,24,25)