4-[4-(chloromethyl)-3-oxidanylidene-5-phenyl-1,2-oxazol-2-yl]-3-nitro-benzoic acid

Systemtic Name: 4-[4-(chloromethyl)-3-oxidanylidene-5-phenyl-1,2-oxazol-2-yl]-3-nitro-benzoic acid Openeye Name: 4-[4-(chloromethyl)-3-oxo-5-phenyl-isoxazol-2-yl]-3-nitro-benzoic acid CAS Name: 4-[4-(chloromethyl)-3-oxo-5-phenyl-2-isoxazolyl]-3-nitrobenzoic acid IUPAC Name: 4-[4-(chloromethyl)-3-oxo-5-phenyl-1,2-oxazol-2-yl]-3-nitrobenzoic acid Traditional Name: 4-[4-(chloromethyl)-3-keto-5-phenyl-4-isoxazolin-2-yl]-3-nitro-benzoic acid Formula: C17H11ClN2O6 MolecularWeight: 374.73204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H11ClN2O6/c18-9-12-15(10-4-2-1-3-5-10)26-19(16(12)21)13-7-6-11(17(22)23)8-14(13)20(24)25/h1-8H,9H2,(H,22,23)