4-[[2-(5-nitro-1,3-benzoxazol-2-yl)phenyl]amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: 4-[[2-(5-nitro-1,3-benzoxazol-2-yl)phenyl]amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: 4-[2-(5-nitro-1,3-benzoxazol-2-yl)anilino]-4-oxo-but-2-enoic acid CAS Name: 4-[2-(5-nitro-1,3-benzoxazol-2-yl)anilino]-4-oxo-2-butenoic acid IUPAC Name: 4-[2-(5-nitro-1,3-benzoxazol-2-yl)anilino]-4-oxobut-2-enoic acid Traditional Name: 4-keto-4-[2-(5-nitro-1,3-benzoxazol-2-yl)anilino]but-2-enoic acid Formula: C17H11N3O6 MolecularWeight: 353.28574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H11N3O6/c21-15(7-8-16(22)23)18-12-4-2-1-3-11(12)17-19-13-9-10(20(24)25)5-6-14(13)26-17/h1-9H,(H,18,21)(H,22,23)