tert-butyl N-methylcarbamate; (8-chloranyl-4-oxidanylidene-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) propanoate

Systemtic Name: tert-butyl N-methylcarbamate; (8-chloranyl-4-oxidanylidene-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) propanoate Openeye Name: tert-butyl N-methylcarbamate; (8-chloro-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) propanoate CAS Name: N-methylcarbamic acid tert-butyl ester; propanoic acid (8-chloro-4-oxo-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-7-yl) ester IUPAC Name: tert-butyl N-methylcarbamate; (8-chloro-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) propanoate Traditional Name: N-methylcarbamic acid tert-butyl ester; propionic acid (8-chloro-4-keto-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) ester Formula: C21H26ClNO6 MolecularWeight: 423.88724

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=C(C=C2C3=C(CCC3)C(=O)OC2=C1)Cl.CC(C)(C)OC(=O)NC

Isomeric SMILES

CCC(=O)OC1=C(C=C2C3=C(CCC3)C(=O)OC2=C1)Cl.CC(C)(C)OC(=O)NC

InChI

InChI=1S/C15H13ClO4.C6H13NO2/c1-2-14(17)19-13-7-12-10(6-11(13)16)8-4-3-5-9(8)15(18)20-12;1-6(2,3)9-5(8)7-4/h6-7H,2-5H2,1H3;1-4H3,(H,7,8)