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

Systemtic Name: [3-(1-acetyloxy-2-carboxyoxy-ethyl)-5-chloranyl-1-methyl-4,7-bis(oxidanylidene)indol-6-yl] ethanoate Openeye Name: [3-(1-acetoxy-2-carboxyoxy-ethyl)-5-chloro-1-methyl-4,7-dioxo-indol-6-yl] acetate CAS Name: acetic acid [3-(1-acetyloxy-2-carboxyoxyethyl)-5-chloro-1-methyl-4,7-dioxo-6-indolyl] ester IUPAC Name: [3-(1-acetyloxy-2-carboxyoxyethyl)-5-chloro-1-methyl-4,7-dioxoindol-6-yl] acetate Traditional Name: acetic acid [3-(1-acetoxy-2-carboxyoxy-ethyl)-5-chloro-4,7-diketo-1-methyl-indol-6-yl] ester Formula: C16H14ClNO9 MolecularWeight: 399.73666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14ClNO9/c1-6(19)26-9(5-25-16(23)24)8-4-18(3)12-10(8)13(21)11(17)15(14(12)22)27-7(2)20/h4,9H,5H2,1-3H3,(H,23,24)