2-[4-(1-oxidanylidene-2,3-dihydroindol-1-ium-2-yl)phenyl]propanoic acid

Systemtic Name: 2-[4-(1-oxidanylidene-2,3-dihydroindol-1-ium-2-yl)phenyl]propanoic acid Openeye Name: 2-[4-(1-oxoindolin-1-ium-2-yl)phenyl]propanoic acid CAS Name: 2-[4-(1-oxo-2,3-dihydroindol-1-ium-2-yl)phenyl]propanoic acid IUPAC Name: 2-[4-(1-oxo-2,3-dihydroindol-1-ium-2-yl)phenyl]propanoic acid Traditional Name: 2-[4-(1-ketoindolin-1-ium-2-yl)phenyl]propionic acid Formula: C17H16NO3+ MolecularWeight: 282.31384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C2CC3=CC=CC=C3[N+]2=O)C(=O)O

Isomeric SMILES

CC(C1=CC=C(C=C1)C2CC3=CC=CC=C3[N+]2=O)C(=O)O

InChI

InChI=1S/C17H15NO3/c1-11(17(19)20)12-6-8-13(9-7-12)16-10-14-4-2-3-5-15(14)18(16)21/h2-9,11,16H,10H2,1H3/p+1