3-[(2-methoxy-5-nitro-phenyl)carbonylamino]butanoic acid

Systemtic Name: 3-[(2-methoxy-5-nitro-phenyl)carbonylamino]butanoic acid Openeye Name: 3-[(2-methoxy-5-nitro-benzoyl)amino]butanoic acid CAS Name: 3-[[(2-methoxy-5-nitrophenyl)-oxomethyl]amino]butanoic acid IUPAC Name: 3-[(2-methoxy-5-nitrobenzoyl)amino]butanoic acid Traditional Name: 3-[(2-methoxy-5-nitro-benzoyl)amino]butyric acid Formula: C12H14N2O6 MolecularWeight: 282.24936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O6/c1-7(5-11(15)16)13-12(17)9-6-8(14(18)19)3-4-10(9)20-2/h3-4,6-7H,5H2,1-2H3,(H,13,17)(H,15,16)