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

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

CC(C(=O)O)NC1=C(C(=O)OC2=CC=CC=C21)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)O)NC1=C(C(=O)OC2=CC=CC=C21)[N+](=O)[O-]

InChI

InChI=1S/C12H10N2O6/c1-6(11(15)16)13-9-7-4-2-3-5-8(7)20-12(17)10(9)14(18)19/h2-6,13H,1H3,(H,15,16)