O4-[(7-bromanyl-2-oxidanylidene-chromen-4-yl)methyl] O2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O4-[(7-bromanyl-2-oxidanylidene-chromen-4-yl)methyl] O2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O4-[(7-bromo-2-oxo-chromen-4-yl)methyl] O2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-[(7-bromo-2-oxo-1-benzopyran-4-yl)methyl] ester O2-ethyl ester IUPAC Name: 4-O-[(7-bromo-2-oxochromen-4-yl)methyl] 2-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-[(7-bromo-2-keto-chromen-4-yl)methyl] ester O2-ethyl ester Formula: C20H18BrNO6 MolecularWeight: 448.26402

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)Br)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)Br)C

InChI

InChI=1S/C20H18BrNO6/c1-4-26-20(25)18-10(2)17(11(3)22-18)19(24)27-9-12-7-16(23)28-15-8-13(21)5-6-14(12)15/h5-8,22H,4,9H2,1-3H3