[2-(2-aminocarbonyl-4-chloranyl-1-methyl-indol-7-yl)-1-azanyl-1-azanylidene-propan-2-yl]phosphonic acid

Systemtic Name: [2-(2-aminocarbonyl-4-chloranyl-1-methyl-indol-7-yl)-1-azanyl-1-azanylidene-propan-2-yl]phosphonic acid Openeye Name: [2-amino-1-(2-carbamoyl-4-chloro-1-methyl-indol-7-yl)-2-imino-1-methyl-ethyl]phosphonic acid CAS Name: [1-amino-2-(2-carbamoyl-4-chloro-1-methyl-7-indolyl)-1-iminopropan-2-yl]phosphonic acid IUPAC Name: [1-amino-2-(2-carbamoyl-4-chloro-1-methylindol-7-yl)-1-iminopropan-2-yl]phosphonic acid Traditional Name: [2-amino-1-(2-carbamoyl-4-chloro-1-methyl-indol-7-yl)-2-imino-1-methyl-ethyl]phosphonic acid Formula: C13H16ClN4O4P MolecularWeight: 358.717301

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C2C(=C(C=C1)Cl)C=C(N2C)C(=O)N)(C(=N)N)P(=O)(O)O

Isomeric SMILES

CC(C1=C2C(=C(C=C1)Cl)C=C(N2C)C(=O)N)(C(=N)N)P(=O)(O)O

InChI

InChI=1S/C13H16ClN4O4P/c1-13(12(16)17,23(20,21)22)7-3-4-8(14)6-5-9(11(15)19)18(2)10(6)7/h3-5H,1-2H3,(H2,15,19)(H3,16,17)(H2,20,21,22)