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

Systemtic Name: 2-[(3,5-dimethyl-4-nitro-phenyl)carbonylamino]propanoic acid Openeye Name: 2-[(3,5-dimethyl-4-nitro-benzoyl)amino]propanoic acid CAS Name: 2-[[(3,5-dimethyl-4-nitrophenyl)-oxomethyl]amino]propanoic acid IUPAC Name: 2-[(3,5-dimethyl-4-nitrobenzoyl)amino]propanoic acid Traditional Name: 2-[(3,5-dimethyl-4-nitro-benzoyl)amino]propionic acid Formula: C12H14N2O5 MolecularWeight: 266.24996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1[N+](=O)[O-])C)C(=O)NC(C)C(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1[N+](=O)[O-])C)C(=O)NC(C)C(=O)O

InChI

InChI=1S/C12H14N2O5/c1-6-4-9(5-7(2)10(6)14(18)19)11(15)13-8(3)12(16)17/h4-5,8H,1-3H3,(H,13,15)(H,16,17)