3-[2-[2-[[2-(diazanylmethylideneamino)phenyl]carbonylamino]ethanoylamino]-4-methoxy-5-oxidanyl-1-benzofuran-6-yl]propanoic acid

Systemtic Name: 3-[2-[2-[[2-(diazanylmethylideneamino)phenyl]carbonylamino]ethanoylamino]-4-methoxy-5-oxidanyl-1-benzofuran-6-yl]propanoic acid Openeye Name: 3-[2-[[2-[[2-(hydrazinomethyleneamino)benzoyl]amino]acetyl]amino]-5-hydroxy-4-methoxy-benzofuran-6-yl]propanoic acid CAS Name: 3-[2-[[2-[[[2-(hydrazinylmethylideneamino)phenyl]-oxomethyl]amino]-1-oxoethyl]amino]-5-hydroxy-4-methoxy-6-benzofuranyl]propanoic acid IUPAC Name: 3-[2-[[2-[[2-(hydrazinylmethylideneamino)benzoyl]amino]acetyl]amino]-5-hydroxy-4-methoxy-1-benzofuran-6-yl]propanoic acid Traditional Name: 3-[2-[[2-[[2-(hydrazinomethyleneamino)benzoyl]amino]acetyl]amino]-5-hydroxy-4-methoxy-benzofuran-6-yl]propionic acid Formula: C22H23N5O7 MolecularWeight: 469.44732

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC2=C1C=C(O2)NC(=O)CNC(=O)C3=CC=CC=C3N=CNN)CCC(=O)O)O

Isomeric SMILES

COC1=C(C(=CC2=C1C=C(O2)NC(=O)CNC(=O)C3=CC=CC=C3N=CNN)CCC(=O)O)O

InChI

InChI=1S/C22H23N5O7/c1-33-21-14-9-18(34-16(14)8-12(20(21)31)6-7-19(29)30)27-17(28)10-24-22(32)13-4-2-3-5-15(13)25-11-26-23/h2-5,8-9,11,31H,6-7,10,23H2,1H3,(H,24,32)(H,25,26)(H,27,28)(H,29,30)