3-[3-formamido-7-[[(4-nitrophenyl)-prop-2-ynyl-amino]methyl]-1-benzofuran-2-yl]propanoic acid

Systemtic Name: 3-[3-formamido-7-[[(4-nitrophenyl)-prop-2-ynyl-amino]methyl]-1-benzofuran-2-yl]propanoic acid Openeye Name: 3-[3-formamido-7-[(4-nitro-N-prop-2-ynyl-anilino)methyl]benzofuran-2-yl]propanoic acid CAS Name: 3-[3-formamido-7-[(4-nitro-N-prop-2-ynylanilino)methyl]-2-benzofuranyl]propanoic acid IUPAC Name: 3-[3-formamido-7-[(4-nitro-N-prop-2-ynylanilino)methyl]-1-benzofuran-2-yl]propanoic acid Traditional Name: 3-[3-formamido-7-[(4-nitro-N-propargyl-anilino)methyl]benzofuran-2-yl]propionic acid Formula: C22H19N3O6 MolecularWeight: 421.40276

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN(CC1=CC=CC2=C1OC(=C2NC=O)CCC(=O)O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C#CCN(CC1=CC=CC2=C1OC(=C2NC=O)CCC(=O)O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H19N3O6/c1-2-12-24(16-6-8-17(9-7-16)25(29)30)13-15-4-3-5-18-21(23-14-26)19(31-22(15)18)10-11-20(27)28/h1,3-9,14H,10-13H2,(H,23,26)(H,27,28)