methyl 3-(7-fluoranyl-2-oxidanylidene-1,4-benzodiazepin-5-yl)propanoate

Systemtic Name: methyl 3-(7-fluoranyl-2-oxidanylidene-1,4-benzodiazepin-5-yl)propanoate Openeye Name: methyl 3-(7-fluoro-2-oxo-1,4-benzodiazepin-5-yl)propanoate CAS Name: 3-(7-fluoro-2-oxo-1,4-benzodiazepin-5-yl)propanoic acid methyl ester IUPAC Name: methyl 3-(7-fluoro-2-oxo-1,4-benzodiazepin-5-yl)propanoate Traditional Name: 3-(7-fluoro-2-keto-1,4-benzodiazepin-5-yl)propionic acid methyl ester Formula: C13H11FN2O3 MolecularWeight: 262.236443

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=C2C=C(C=CC2=NC(=O)C=N1)F

Isomeric SMILES

COC(=O)CCC1=C2C=C(C=CC2=NC(=O)C=N1)F

InChI

InChI=1S/C13H11FN2O3/c1-19-13(18)5-4-10-9-6-8(14)2-3-11(9)16-12(17)7-15-10/h2-3,6-7H,4-5H2,1H3