4-[[2-(6-nitro-1,3-benzoxazol-2-yl)phenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[2-(6-nitro-1,3-benzoxazol-2-yl)phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-(6-nitro-1,3-benzoxazol-2-yl)anilino]-4-oxo-butanoic acid CAS Name: 4-[2-(6-nitro-1,3-benzoxazol-2-yl)anilino]-4-oxobutanoic acid IUPAC Name: 4-[2-(6-nitro-1,3-benzoxazol-2-yl)anilino]-4-oxobutanoic acid Traditional Name: 4-keto-4-[2-(6-nitro-1,3-benzoxazol-2-yl)anilino]butyric acid Formula: C17H13N3O6 MolecularWeight: 355.30162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13N3O6/c21-15(7-8-16(22)23)18-12-4-2-1-3-11(12)17-19-13-6-5-10(20(24)25)9-14(13)26-17/h1-6,9H,7-8H2,(H,18,21)(H,22,23)