[2-[bis(azanyl)methylidenecarbamoyl]-4-chloranyl-1-methyl-indol-6-yl]oxymethylphosphonic acid

Systemtic Name: [2-[bis(azanyl)methylidenecarbamoyl]-4-chloranyl-1-methyl-indol-6-yl]oxymethylphosphonic acid Openeye Name: [4-chloro-2-(diaminomethylenecarbamoyl)-1-methyl-indol-6-yl]oxymethylphosphonic acid CAS Name: [4-chloro-2-[(diaminomethylideneamino)-oxomethyl]-1-methyl-6-indolyl]oxymethylphosphonic acid IUPAC Name: [4-chloro-2-(diaminomethylidenecarbamoyl)-1-methylindol-6-yl]oxymethylphosphonic acid Traditional Name: [4-chloro-2-(diaminomethylenecarbamoyl)-1-methyl-indol-6-yl]oxymethylphosphonic acid Formula: C12H14ClN4O5P MolecularWeight: 360.690121

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC(=CC(=C2C=C1C(=O)N=C(N)N)Cl)OCP(=O)(O)O

Isomeric SMILES

CN1C2=CC(=CC(=C2C=C1C(=O)N=C(N)N)Cl)OCP(=O)(O)O

InChI

InChI=1S/C12H14ClN4O5P/c1-17-9-3-6(22-5-23(19,20)21)2-8(13)7(9)4-10(17)11(18)16-12(14)15/h2-4H,5H2,1H3,(H2,19,20,21)(H4,14,15,16,18)