methyl 4-fluoranyl-3-[3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoylamino]benzoate

Systemtic Name: methyl 4-fluoranyl-3-[3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoylamino]benzoate Openeye Name: methyl 4-fluoro-3-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]benzoate CAS Name: 4-fluoro-3-[[1-oxo-3-(4-oxo-1,2,3-benzotriazin-3-yl)propyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-fluoro-3-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]benzoate Traditional Name: 4-fluoro-3-[3-(4-keto-1,2,3-benzotriazin-3-yl)propanoylamino]benzoic acid methyl ester Formula: C18H15FN4O4 MolecularWeight: 370.334503

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)F)NC(=O)CCN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)F)NC(=O)CCN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C18H15FN4O4/c1-27-18(26)11-6-7-13(19)15(10-11)20-16(24)8-9-23-17(25)12-4-2-3-5-14(12)21-22-23/h2-7,10H,8-9H2,1H3,(H,20,24)