5-[[2-(6-nitro-1,3-benzoxazol-2-yl)phenyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[[2-(6-nitro-1,3-benzoxazol-2-yl)phenyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[2-(6-nitro-1,3-benzoxazol-2-yl)anilino]-5-oxo-pentanoic acid CAS Name: 5-[2-(6-nitro-1,3-benzoxazol-2-yl)anilino]-5-oxopentanoic acid IUPAC Name: 5-[2-(6-nitro-1,3-benzoxazol-2-yl)anilino]-5-oxopentanoic acid Traditional Name: 5-keto-5-[2-(6-nitro-1,3-benzoxazol-2-yl)anilino]valeric acid Formula: C18H15N3O6 MolecularWeight: 369.3282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC3=C(O2)C=C(C=C3)[N+](=O)[O-])NC(=O)CCCC(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC3=C(O2)C=C(C=C3)[N+](=O)[O-])NC(=O)CCCC(=O)O

InChI

InChI=1S/C18H15N3O6/c22-16(6-3-7-17(23)24)19-13-5-2-1-4-12(13)18-20-14-9-8-11(21(25)26)10-15(14)27-18/h1-2,4-5,8-10H,3,6-7H2,(H,19,22)(H,23,24)