3-[(4,5-dimethoxy-2-nitro-phenyl)carbonylamino]propanoic acid

Systemtic Name: 3-[(4,5-dimethoxy-2-nitro-phenyl)carbonylamino]propanoic acid Openeye Name: 3-[(4,5-dimethoxy-2-nitro-benzoyl)amino]propanoic acid CAS Name: 3-[[(4,5-dimethoxy-2-nitrophenyl)-oxomethyl]amino]propanoic acid IUPAC Name: 3-[(4,5-dimethoxy-2-nitrobenzoyl)amino]propanoic acid Traditional Name: 3-[(4,5-dimethoxy-2-nitro-benzoyl)amino]propionic acid Formula: C12H14N2O7 MolecularWeight: 298.24876

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)NCCC(=O)O)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)NCCC(=O)O)[N+](=O)[O-])OC

InChI

InChI=1S/C12H14N2O7/c1-20-9-5-7(12(17)13-4-3-11(15)16)8(14(18)19)6-10(9)21-2/h5-6H,3-4H2,1-2H3,(H,13,17)(H,15,16)