5-[[4-[(E)-N-[(5-bromanylfuran-2-yl)carbonylamino]-C-methyl-carbonimidoyl]phenyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[[4-[(E)-N-[(5-bromanylfuran-2-yl)carbonylamino]-C-methyl-carbonimidoyl]phenyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[4-[(E)-N-[(5-bromofuran-2-carbonyl)amino]-C-methyl-carbonimidoyl]anilino]-5-oxo-pentanoic acid CAS Name: 5-[4-[(1E)-1-[[(5-bromo-2-furanyl)-oxomethyl]hydrazinylidene]ethyl]anilino]-5-oxopentanoic acid IUPAC Name: 5-[4-[(E)-N-[(5-bromofuran-2-carbonyl)amino]-C-methylcarbonimidoyl]anilino]-5-oxopentanoic acid Traditional Name: 5-[4-[(E)-N-[(5-bromo-2-furoyl)amino]-C-methyl-carbonimidoyl]anilino]-5-keto-valeric acid Formula: C18H18BrN3O5 MolecularWeight: 436.25662

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=CC=C(O1)Br)C2=CC=C(C=C2)NC(=O)CCCC(=O)O

Isomeric SMILES

C/C(=N\NC(=O)C1=CC=C(O1)Br)/C2=CC=C(C=C2)NC(=O)CCCC(=O)O

InChI

InChI=1S/C18H18BrN3O5/c1-11(21-22-18(26)14-9-10-15(19)27-14)12-5-7-13(8-6-12)20-16(23)3-2-4-17(24)25/h5-10H,2-4H2,1H3,(H,20,23)(H,22,26)(H,24,25)/b21-11+