2-[2-[bis(azanyl)methylidenecarbamoyl]-4-chloranyl-1-methyl-indol-7-yl]ethylphosphonic acid

Systemtic Name: 2-[2-[bis(azanyl)methylidenecarbamoyl]-4-chloranyl-1-methyl-indol-7-yl]ethylphosphonic acid Openeye Name: 2-[4-chloro-2-(diaminomethylenecarbamoyl)-1-methyl-indol-7-yl]ethylphosphonic acid CAS Name: 2-[4-chloro-2-[(diaminomethylideneamino)-oxomethyl]-1-methyl-7-indolyl]ethylphosphonic acid IUPAC Name: 2-[4-chloro-2-(diaminomethylidenecarbamoyl)-1-methylindol-7-yl]ethylphosphonic acid Traditional Name: 2-[4-chloro-2-(diaminomethylenecarbamoyl)-1-methyl-indol-7-yl]ethylphosphonic acid Formula: C13H16ClN4O4P MolecularWeight: 358.717301

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC2=C(C=CC(=C21)CCP(=O)(O)O)Cl)C(=O)N=C(N)N

Isomeric SMILES

CN1C(=CC2=C(C=CC(=C21)CCP(=O)(O)O)Cl)C(=O)N=C(N)N

InChI

InChI=1S/C13H16ClN4O4P/c1-18-10(12(19)17-13(15)16)6-8-9(14)3-2-7(11(8)18)4-5-23(20,21)22/h2-3,6H,4-5H2,1H3,(H2,20,21,22)(H4,15,16,17,19)