3-[(3-methyl-4-nitro-phenyl)carbonylamino]propanoic acid

Systemtic Name: 3-[(3-methyl-4-nitro-phenyl)carbonylamino]propanoic acid Openeye Name: 3-[(3-methyl-4-nitro-benzoyl)amino]propanoic acid CAS Name: 3-[[(3-methyl-4-nitrophenyl)-oxomethyl]amino]propanoic acid IUPAC Name: 3-[(3-methyl-4-nitrobenzoyl)amino]propanoic acid Traditional Name: 3-[(3-methyl-4-nitro-benzoyl)amino]propionic acid Formula: C11H12N2O5 MolecularWeight: 252.22338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N2O5/c1-7-6-8(2-3-9(7)13(17)18)11(16)12-5-4-10(14)15/h2-3,6H,4-5H2,1H3,(H,12,16)(H,14,15)