butane; 3-[[6-chloranyl-2-(furan-2-ylcarbonyl)-1H-indol-3-yl]oxy]-3-oxidanylidene-propanoate

Systemtic Name: butane; 3-[[6-chloranyl-2-(furan-2-ylcarbonyl)-1H-indol-3-yl]oxy]-3-oxidanylidene-propanoate Openeye Name: butane; 3-[[6-chloro-2-(furan-2-carbonyl)-1H-indol-3-yl]oxy]-3-oxo-propanoate CAS Name: butane; 3-[[6-chloro-2-[2-furanyl(oxo)methyl]-1H-indol-3-yl]oxy]-3-oxopropanoate IUPAC Name: butane; 3-[[6-chloro-2-(furan-2-carbonyl)-1H-indol-3-yl]oxy]-3-oxopropanoate Traditional Name: 3-[[6-chloro-2-(2-furoyl)-1H-indol-3-yl]oxy]-3-keto-propionate; n-butane Formula: C20H19ClNO6- MolecularWeight: 404.82096

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Descriptors Computed from Structure

Canonical SMILES:

CCCC.C1=COC(=C1)C(=O)C2=C(C3=C(N2)C=C(C=C3)Cl)OC(=O)CC(=O)[O-]

Isomeric SMILES

CCCC.C1=COC(=C1)C(=O)C2=C(C3=C(N2)C=C(C=C3)Cl)OC(=O)CC(=O)[O-]

InChI

InChI=1S/C16H10ClNO6.C4H10/c17-8-3-4-9-10(6-8)18-14(15(22)11-2-1-5-23-11)16(9)24-13(21)7-12(19)20;1-3-4-2/h1-6,18H,7H2,(H,19,20);3-4H2,1-2H3/p-1