(7-bromanyl-2-oxidanylidene-chromen-4-yl)methyl 3-cyanobenzoate

Systemtic Name: (7-bromanyl-2-oxidanylidene-chromen-4-yl)methyl 3-cyanobenzoate Openeye Name: (7-bromo-2-oxo-chromen-4-yl)methyl 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid (7-bromo-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-bromo-2-oxochromen-4-yl)methyl 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid (7-bromo-2-keto-chromen-4-yl)methyl ester Formula: C18H10BrNO4 MolecularWeight: 384.1803

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)Br)C#N

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)Br)C#N

InChI

InChI=1S/C18H10BrNO4/c19-14-4-5-15-13(7-17(21)24-16(15)8-14)10-23-18(22)12-3-1-2-11(6-12)9-20/h1-8H,10H2