[3-(1-acetyloxy-2-carboxyoxy-ethyl)-4-azanylidene-5-chloranyl-1-methyl-7-oxidanylidene-indol-6-yl] ethanoate

Systemtic Name: [3-(1-acetyloxy-2-carboxyoxy-ethyl)-4-azanylidene-5-chloranyl-1-methyl-7-oxidanylidene-indol-6-yl] ethanoate Openeye Name: [3-(1-acetoxy-2-carboxyoxy-ethyl)-5-chloro-4-imino-1-methyl-7-oxo-indol-6-yl] acetate CAS Name: acetic acid [3-(1-acetyloxy-2-carboxyoxyethyl)-5-chloro-4-imino-1-methyl-7-oxo-6-indolyl] ester IUPAC Name: [3-(1-acetyloxy-2-carboxyoxyethyl)-5-chloro-4-imino-1-methyl-7-oxoindol-6-yl] acetate Traditional Name: acetic acid [3-(1-acetoxy-2-carboxyoxy-ethyl)-5-chloro-4-imino-7-keto-1-methyl-indol-6-yl] ester Formula: C16H15ClN2O8 MolecularWeight: 398.7519

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C(=N)C2=C(C1=O)N(C=C2C(COC(=O)O)OC(=O)C)C)Cl

Isomeric SMILES

CC(=O)OC1=C(C(=N)C2=C(C1=O)N(C=C2C(COC(=O)O)OC(=O)C)C)Cl

InChI

InChI=1S/C16H15ClN2O8/c1-6(20)26-9(5-25-16(23)24)8-4-19(3)13-10(8)12(18)11(17)15(14(13)22)27-7(2)21/h4,9,18H,5H2,1-3H3,(H,23,24)