3-[(3-nitro-2-oxidanylidene-chromen-4-yl)amino]propanoic acid

Systemtic Name: 3-[(3-nitro-2-oxidanylidene-chromen-4-yl)amino]propanoic acid Openeye Name: 3-[(3-nitro-2-oxo-chromen-4-yl)amino]propanoic acid CAS Name: 3-[(3-nitro-2-oxo-1-benzopyran-4-yl)amino]propanoic acid IUPAC Name: 3-[(3-nitro-2-oxochromen-4-yl)amino]propanoic acid Traditional Name: 3-[(2-keto-3-nitro-chromen-4-yl)amino]propionic acid Formula: C12H10N2O6 MolecularWeight: 278.2176

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(C(=O)O2)[N+](=O)[O-])NCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(C(=O)O2)[N+](=O)[O-])NCCC(=O)O

InChI

InChI=1S/C12H10N2O6/c15-9(16)5-6-13-10-7-3-1-2-4-8(7)20-12(17)11(10)14(18)19/h1-4,13H,5-6H2,(H,15,16)