6-bromanyl-3-ethanoyl-8-methoxy-chromen-2-one; ethyl 4-azanylbenzoate

Systemtic Name: 6-bromanyl-3-ethanoyl-8-methoxy-chromen-2-one; ethyl 4-azanylbenzoate Openeye Name: 3-acetyl-6-bromo-8-methoxy-chromen-2-one; ethyl 4-aminobenzoate CAS Name: 3-acetyl-6-bromo-8-methoxy-1-benzopyran-2-one; 4-aminobenzoic acid ethyl ester IUPAC Name: 3-acetyl-6-bromo-8-methoxychromen-2-one; ethyl 4-aminobenzoate Traditional Name: 3-acetyl-6-bromo-8-methoxy-coumarin; 4-aminobenzoic acid ethyl ester Formula: C21H20BrNO6 MolecularWeight: 462.2906

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N.CC(=O)C1=CC2=CC(=CC(=C2OC1=O)OC)Br

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N.CC(=O)C1=CC2=CC(=CC(=C2OC1=O)OC)Br

InChI

InChI=1S/C12H9BrO4.C9H11NO2/c1-6(14)9-4-7-3-8(13)5-10(16-2)11(7)17-12(9)15;1-2-12-9(11)7-3-5-8(10)6-4-7/h3-5H,1-2H3;3-6H,2,10H2,1H3