3-[(2-methyl-3-nitro-phenyl)carbonylamino]propanoic acid

Systemtic Name: 3-[(2-methyl-3-nitro-phenyl)carbonylamino]propanoic acid Openeye Name: 3-[(2-methyl-3-nitro-benzoyl)amino]propanoic acid CAS Name: 3-[[(2-methyl-3-nitrophenyl)-oxomethyl]amino]propanoic acid IUPAC Name: 3-[(2-methyl-3-nitrobenzoyl)amino]propanoic acid Traditional Name: 3-[(2-methyl-3-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[N+](=O)[O-])C(=O)NCCC(=O)O

Isomeric SMILES

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

InChI

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