3-[(7-nitro-1H-indol-2-yl)carbonylamino]pentan-3-ylphosphonic acid

Systemtic Name: 3-[(7-nitro-1H-indol-2-yl)carbonylamino]pentan-3-ylphosphonic acid Openeye Name: [1-ethyl-1-[(7-nitro-1H-indole-2-carbonyl)amino]propyl]phosphonic acid CAS Name: 3-[[(7-nitro-1H-indol-2-yl)-oxomethyl]amino]pentan-3-ylphosphonic acid IUPAC Name: 3-[(7-nitro-1H-indole-2-carbonyl)amino]pentan-3-ylphosphonic acid Traditional Name: [1-ethyl-1-[(7-nitro-1H-indole-2-carbonyl)amino]propyl]phosphonic acid Formula: C14H18N3O6P MolecularWeight: 355.282981

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(NC(=O)C1=CC2=C(N1)C(=CC=C2)[N+](=O)[O-])P(=O)(O)O

Isomeric SMILES

CCC(CC)(NC(=O)C1=CC2=C(N1)C(=CC=C2)[N+](=O)[O-])P(=O)(O)O

InChI

InChI=1S/C14H18N3O6P/c1-3-14(4-2,24(21,22)23)16-13(18)10-8-9-6-5-7-11(17(19)20)12(9)15-10/h5-8,15H,3-4H2,1-2H3,(H,16,18)(H2,21,22,23)