2-[3-(1,3-benzodioxol-4-yl)-4-cyano-pyrrol-1-yl]ethanoic acid

Systemtic Name: 2-[3-(1,3-benzodioxol-4-yl)-4-cyano-pyrrol-1-yl]ethanoic acid Openeye Name: 2-[3-(1,3-benzodioxol-4-yl)-4-cyano-pyrrol-1-yl]acetic acid CAS Name: 2-[3-(1,3-benzodioxol-4-yl)-4-cyano-1-pyrrolyl]acetic acid IUPAC Name: 2-[3-(1,3-benzodioxol-4-yl)-4-cyanopyrrol-1-yl]acetic acid Traditional Name: 2-[3-(1,3-benzodioxol-4-yl)-4-cyano-pyrrol-1-yl]acetic acid Formula: C14H10N2O4 MolecularWeight: 270.2402

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=CC=CC(=C2O1)C3=CN(C=C3C#N)CC(=O)O

Isomeric SMILES

C1OC2=CC=CC(=C2O1)C3=CN(C=C3C#N)CC(=O)O

InChI

InChI=1S/C14H10N2O4/c15-4-9-5-16(7-13(17)18)6-11(9)10-2-1-3-12-14(10)20-8-19-12/h1-3,5-6H,7-8H2,(H,17,18)