(7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 4-bromanyl-1H-pyrrole-2-carboxylate

Systemtic Name: (7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 4-bromanyl-1H-pyrrole-2-carboxylate Openeye Name: (7-acetamido-2-oxo-chromen-4-yl)methyl 4-bromo-1H-pyrrole-2-carboxylate CAS Name: 4-bromo-1H-pyrrole-2-carboxylic acid (7-acetamido-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-acetamido-2-oxochromen-4-yl)methyl 4-bromo-1H-pyrrole-2-carboxylate Traditional Name: 4-bromo-1H-pyrrole-2-carboxylic acid (7-acetamido-2-keto-chromen-4-yl)methyl ester Formula: C17H13BrN2O5 MolecularWeight: 405.19952

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=CN3)Br

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=CN3)Br

InChI

InChI=1S/C17H13BrN2O5/c1-9(21)20-12-2-3-13-10(4-16(22)25-15(13)6-12)8-24-17(23)14-5-11(18)7-19-14/h2-7,19H,8H2,1H3,(H,20,21)