2-[(4,5-dimethoxy-2-nitro-phenyl)carbonylamino]propanoic acid

Systemtic Name: 2-[(4,5-dimethoxy-2-nitro-phenyl)carbonylamino]propanoic acid Openeye Name: 2-[(4,5-dimethoxy-2-nitro-benzoyl)amino]propanoic acid CAS Name: 2-[[(4,5-dimethoxy-2-nitrophenyl)-oxomethyl]amino]propanoic acid IUPAC Name: 2-[(4,5-dimethoxy-2-nitrobenzoyl)amino]propanoic acid Traditional Name: 2-[(4,5-dimethoxy-2-nitro-benzoyl)amino]propionic acid Formula: C12H14N2O7 MolecularWeight: 298.24876

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)C1=CC(=C(C=C1[N+](=O)[O-])OC)OC

Isomeric SMILES

CC(C(=O)O)NC(=O)C1=CC(=C(C=C1[N+](=O)[O-])OC)OC

InChI

InChI=1S/C12H14N2O7/c1-6(12(16)17)13-11(15)7-4-9(20-2)10(21-3)5-8(7)14(18)19/h4-6H,1-3H3,(H,13,15)(H,16,17)