methyl 2-[(2R)-1-(6-bromanyl-8-methoxy-2-oxidanylidene-chromen-3-yl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: methyl 2-[(2R)-1-(6-bromanyl-8-methoxy-2-oxidanylidene-chromen-3-yl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: methyl 2-[(2R)-1-(6-bromo-8-methoxy-2-oxo-chromene-3-carbonyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[(2R)-1-[(6-bromo-8-methoxy-2-oxo-1-benzopyran-3-yl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[(2R)-1-(6-bromo-8-methoxy-2-oxochromene-3-carbonyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[(2R)-1-(6-bromo-2-keto-8-methoxy-chromene-3-carbonyl)-3-keto-piperazin-2-yl]acetic acid methyl ester Formula: C18H17BrN2O7 MolecularWeight: 453.24078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1)Br)C=C(C(=O)O2)C(=O)N3CCNC(=O)C3CC(=O)OC

Isomeric SMILES

COC1=C2C(=CC(=C1)Br)C=C(C(=O)O2)C(=O)N3CCNC(=O)[C@H]3CC(=O)OC

InChI

InChI=1S/C18H17BrN2O7/c1-26-13-7-10(19)5-9-6-11(18(25)28-15(9)13)17(24)21-4-3-20-16(23)12(21)8-14(22)27-2/h5-7,12H,3-4,8H2,1-2H3,(H,20,23)/t12-/m1/s1