3-methylbutyl 4-[(6-bromanyl-2-oxidanylidene-chromen-3-yl)carbonylamino]benzoate

Systemtic Name: 3-methylbutyl 4-[(6-bromanyl-2-oxidanylidene-chromen-3-yl)carbonylamino]benzoate Openeye Name: isopentyl 4-[(6-bromo-2-oxo-chromene-3-carbonyl)amino]benzoate CAS Name: 4-[[(6-bromo-2-oxo-1-benzopyran-3-yl)-oxomethyl]amino]benzoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 4-[(6-bromo-2-oxochromene-3-carbonyl)amino]benzoate Traditional Name: 4-[(6-bromo-2-keto-chromene-3-carbonyl)amino]benzoic acid isoamyl ester Formula: C22H20BrNO5 MolecularWeight: 458.3019

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=CC(=C3)Br)OC2=O

Isomeric SMILES

CC(C)CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=CC(=C3)Br)OC2=O

InChI

InChI=1S/C22H20BrNO5/c1-13(2)9-10-28-21(26)14-3-6-17(7-4-14)24-20(25)18-12-15-11-16(23)5-8-19(15)29-22(18)27/h3-8,11-13H,9-10H2,1-2H3,(H,24,25)