3-(4-nitrophenyl)-3-(pyridin-2-ylmethylamino)-2-[(pyridin-2-ylmethylamino)methyl]propanoic acid

Systemtic Name: 3-(4-nitrophenyl)-3-(pyridin-2-ylmethylamino)-2-[(pyridin-2-ylmethylamino)methyl]propanoic acid Openeye Name: 3-(4-nitrophenyl)-3-(2-pyridylmethylamino)-2-[(2-pyridylmethylamino)methyl]propanoic acid CAS Name: 3-(4-nitrophenyl)-3-(2-pyridinylmethylamino)-2-[(2-pyridinylmethylamino)methyl]propanoic acid IUPAC Name: 3-(4-nitrophenyl)-3-(pyridin-2-ylmethylamino)-2-[(pyridin-2-ylmethylamino)methyl]propanoic acid Traditional Name: 3-(4-nitrophenyl)-3-(2-pyridylmethylamino)-2-[(2-pyridylmethylamino)methyl]propionic acid Formula: C22H23N5O4 MolecularWeight: 421.44912

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CNCC(C(C2=CC=C(C=C2)[N+](=O)[O-])NCC3=CC=CC=N3)C(=O)O

Isomeric SMILES

C1=CC=NC(=C1)CNCC(C(C2=CC=C(C=C2)[N+](=O)[O-])NCC3=CC=CC=N3)C(=O)O

InChI

InChI=1S/C22H23N5O4/c28-22(29)20(15-23-13-17-5-1-3-11-24-17)21(26-14-18-6-2-4-12-25-18)16-7-9-19(10-8-16)27(30)31/h1-12,20-21,23,26H,13-15H2,(H,28,29)