[2-[[azanyl-[(1-methylindol-2-yl)carbonylamino]methylidene]amino]-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [2-[[azanyl-[(1-methylindol-2-yl)carbonylamino]methylidene]amino]-1-phosphono-ethyl]phosphonic acid Openeye Name: [2-[[amino-[(1-methylindole-2-carbonyl)amino]methylene]amino]-1-phosphono-ethyl]phosphonic acid CAS Name: [2-[[amino-[[(1-methyl-2-indolyl)-oxomethyl]amino]methylidene]amino]-1-phosphonoethyl]phosphonic acid IUPAC Name: [2-[[amino-[(1-methylindole-2-carbonyl)amino]methylidene]amino]-1-phosphonoethyl]phosphonic acid Traditional Name: [2-[[amino-[(1-methylindole-2-carbonyl)amino]methylene]amino]-1-phosphono-ethyl]phosphonic acid Formula: C13H18N4O7P2 MolecularWeight: 404.252142

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C=C1C(=O)NC(=NCC(P(=O)(O)O)P(=O)(O)O)N

Isomeric SMILES

CN1C2=CC=CC=C2C=C1C(=O)NC(=NCC(P(=O)(O)O)P(=O)(O)O)N

InChI

InChI=1S/C13H18N4O7P2/c1-17-9-5-3-2-4-8(9)6-10(17)12(18)16-13(14)15-7-11(25(19,20)21)26(22,23)24/h2-6,11H,7H2,1H3,(H2,19,20,21)(H2,22,23,24)(H3,14,15,16,18)