3-[(2-methyl-6-nitro-phenyl)carbonylamino]butanoic acid

Systemtic Name: 3-[(2-methyl-6-nitro-phenyl)carbonylamino]butanoic acid Openeye Name: 3-[(2-methyl-6-nitro-benzoyl)amino]butanoic acid CAS Name: 3-[[(2-methyl-6-nitrophenyl)-oxomethyl]amino]butanoic acid IUPAC Name: 3-[(2-methyl-6-nitrobenzoyl)amino]butanoic acid Traditional Name: 3-[(2-methyl-6-nitro-benzoyl)amino]butyric acid Formula: C12H14N2O5 MolecularWeight: 266.24996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O5/c1-7-4-3-5-9(14(18)19)11(7)12(17)13-8(2)6-10(15)16/h3-5,8H,6H2,1-2H3,(H,13,17)(H,15,16)