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

Systemtic Name: [2-(aminocarbonylamino)-1-chloranyl-2-oxidanylidene-ethyl]phosphonic acid; aniline Openeye Name: aniline; (1-chloro-2-oxo-2-ureido-ethyl)phosphonic acid CAS Name: aniline; [2-(carbamoylamino)-1-chloro-2-oxoethyl]phosphonic acid IUPAC Name: aniline; [2-(carbamoylamino)-1-chloro-2-oxoethyl]phosphonic acid Traditional Name: (1-chloro-2-keto-2-ureido-ethyl)phosphonic acid; phenylamine Formula: C9H13ClN3O5P MolecularWeight: 309.643381

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H7N.C3H6ClN2O5P/c7-6-4-2-1-3-5-6;4-1(12(9,10)11)2(7)6-3(5)8/h1-5H,7H2;1H,(H2,9,10,11)(H3,5,6,7,8)