aniline; [1-chloranyl-2-(methylcarbamoylamino)-2-oxidanylidene-ethyl]phosphonic acid

Systemtic Name: aniline; [1-chloranyl-2-(methylcarbamoylamino)-2-oxidanylidene-ethyl]phosphonic acid Openeye Name: aniline; [1-chloro-2-(methylcarbamoylamino)-2-oxo-ethyl]phosphonic acid CAS Name: aniline; [1-chloro-2-(methylcarbamoylamino)-2-oxoethyl]phosphonic acid IUPAC Name: aniline; [1-chloro-2-(methylcarbamoylamino)-2-oxoethyl]phosphonic acid Traditional Name: [1-chloro-2-keto-2-(methylcarbamoylamino)ethyl]phosphonic acid; phenylamine Formula: C10H15ClN3O5P MolecularWeight: 323.669961

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NC(=O)C(P(=O)(O)O)Cl.C1=CC=C(C=C1)N

Isomeric SMILES

CNC(=O)NC(=O)C(P(=O)(O)O)Cl.C1=CC=C(C=C1)N

InChI

InChI=1S/C6H7N.C4H8ClN2O5P/c7-6-4-2-1-3-5-6;1-6-4(9)7-3(8)2(5)13(10,11)12/h1-5H,7H2;2H,1H3,(H2,10,11,12)(H2,6,7,8,9)