3-[(3-chloranyl-2-nitro-phenyl)carbonylamino]pentan-3-ylphosphonic acid

Systemtic Name: 3-[(3-chloranyl-2-nitro-phenyl)carbonylamino]pentan-3-ylphosphonic acid Openeye Name: [1-[(3-chloro-2-nitro-benzoyl)amino]-1-ethyl-propyl]phosphonic acid CAS Name: 3-[[(3-chloro-2-nitrophenyl)-oxomethyl]amino]pentan-3-ylphosphonic acid IUPAC Name: 3-[(3-chloro-2-nitrobenzoyl)amino]pentan-3-ylphosphonic acid Traditional Name: [1-[(3-chloro-2-nitro-benzoyl)amino]-1-ethyl-propyl]phosphonic acid Formula: C12H16ClN2O6P MolecularWeight: 350.692001

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(NC(=O)C1=C(C(=CC=C1)Cl)[N+](=O)[O-])P(=O)(O)O

Isomeric SMILES

CCC(CC)(NC(=O)C1=C(C(=CC=C1)Cl)[N+](=O)[O-])P(=O)(O)O

InChI

InChI=1S/C12H16ClN2O6P/c1-3-12(4-2,22(19,20)21)14-11(16)8-6-5-7-9(13)10(8)15(17)18/h5-7H,3-4H2,1-2H3,(H,14,16)(H2,19,20,21)