3-(6-azanylpyridin-3-yl)-2-[1-(2-nitrophenyl)imidazol-4-yl]propanoic acid

Systemtic Name: 3-(6-azanylpyridin-3-yl)-2-[1-(2-nitrophenyl)imidazol-4-yl]propanoic acid Openeye Name: 3-(6-amino-3-pyridyl)-2-[1-(2-nitrophenyl)imidazol-4-yl]propanoic acid CAS Name: 3-(6-amino-3-pyridinyl)-2-[1-(2-nitrophenyl)-4-imidazolyl]propanoic acid IUPAC Name: 3-(6-aminopyridin-3-yl)-2-[1-(2-nitrophenyl)imidazol-4-yl]propanoic acid Traditional Name: 3-(6-amino-3-pyridyl)-2-[1-(2-nitrophenyl)imidazol-4-yl]propionic acid Formula: C17H15N5O4 MolecularWeight: 353.3321

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N2C=C(N=C2)C(CC3=CN=C(C=C3)N)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)N2C=C(N=C2)C(CC3=CN=C(C=C3)N)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C17H15N5O4/c18-16-6-5-11(8-19-16)7-12(17(23)24)13-9-21(10-20-13)14-3-1-2-4-15(14)22(25)26/h1-6,8-10,12H,7H2,(H2,18,19)(H,23,24)