2-[4-(5-nitro-3-oxidanylidene-1H-isoindol-2-yl)phenyl]propanoic acid

Systemtic Name: 2-[4-(5-nitro-3-oxidanylidene-1H-isoindol-2-yl)phenyl]propanoic acid Openeye Name: 2-[4-(6-nitro-1-oxo-isoindolin-2-yl)phenyl]propanoic acid CAS Name: 2-[4-(5-nitro-3-oxo-1H-isoindol-2-yl)phenyl]propanoic acid IUPAC Name: 2-[4-(5-nitro-3-oxo-1H-isoindol-2-yl)phenyl]propanoic acid Traditional Name: 2-[4-(1-keto-6-nitro-isoindolin-2-yl)phenyl]propionic acid Formula: C17H14N2O5 MolecularWeight: 326.30346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)N2CC3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(C1=CC=C(C=C1)N2CC3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C17H14N2O5/c1-10(17(21)22)11-2-5-13(6-3-11)18-9-12-4-7-14(19(23)24)8-15(12)16(18)20/h2-8,10H,9H2,1H3,(H,21,22)