3-azanylpropanoic acid; 2-nitroindene-1,3-dione

Systemtic Name: 3-azanylpropanoic acid; 2-nitroindene-1,3-dione Openeye Name: 3-aminopropanoic acid; 2-nitroindane-1,3-dione CAS Name: 3-aminopropanoic acid; 2-nitroindene-1,3-dione IUPAC Name: 3-aminopropanoic acid; 2-nitroindene-1,3-dione Traditional Name: 3-aminopropionic acid; 2-nitroindane-1,3-quinone Formula: C12H12N2O6 MolecularWeight: 280.23348

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C(C2=O)[N+](=O)[O-].C(CN)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C(C2=O)[N+](=O)[O-].C(CN)C(=O)O

InChI

InChI=1S/C9H5NO4.C3H7NO2/c11-8-5-3-1-2-4-6(5)9(12)7(8)10(13)14;4-2-1-3(5)6/h1-4,7H;1-2,4H2,(H,5,6)