[3-[(2-butan-2-yloxycarbonyloxy-2-oxidanylidene-ethyl)carbamoyl]-6-chloranyl-2-oxidanylidene-chromen-7-yl] butanoate

Systemtic Name: [3-[(2-butan-2-yloxycarbonyloxy-2-oxidanylidene-ethyl)carbamoyl]-6-chloranyl-2-oxidanylidene-chromen-7-yl] butanoate Openeye Name: [6-chloro-2-oxo-3-[(2-oxo-2-sec-butoxycarbonyloxy-ethyl)carbamoyl]chromen-7-yl] butanoate CAS Name: butanoic acid [3-[[[2-[butan-2-yloxy(oxo)methoxy]-2-oxoethyl]amino]-oxomethyl]-6-chloro-2-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-[(2-butan-2-yloxycarbonyloxy-2-oxoethyl)carbamoyl]-6-chloro-2-oxochromen-7-yl] butanoate Traditional Name: butyric acid [6-chloro-2-keto-3-[(2-keto-2-sec-butoxycarbonyloxy-ethyl)carbamoyl]chromen-7-yl] ester Formula: C21H22ClNO9 MolecularWeight: 467.85368

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=C(C=C2C=C(C(=O)OC2=C1)C(=O)NCC(=O)OC(=O)OC(C)CC)Cl

Isomeric SMILES

CCCC(=O)OC1=C(C=C2C=C(C(=O)OC2=C1)C(=O)NCC(=O)OC(=O)OC(C)CC)Cl

InChI

InChI=1S/C21H22ClNO9/c1-4-6-17(24)30-16-9-15-12(8-14(16)22)7-13(20(27)31-15)19(26)23-10-18(25)32-21(28)29-11(3)5-2/h7-9,11H,4-6,10H2,1-3H3,(H,23,26)