5-methoxy-2-nitro-4-(3-oxidanylidene-3-phenylmethoxy-propoxy)benzoic acid

Systemtic Name: 5-methoxy-2-nitro-4-(3-oxidanylidene-3-phenylmethoxy-propoxy)benzoic acid Openeye Name: 4-(3-benzyloxy-3-oxo-propoxy)-5-methoxy-2-nitro-benzoic acid CAS Name: 5-methoxy-2-nitro-4-(3-oxo-3-phenylmethoxypropoxy)benzoic acid IUPAC Name: 5-methoxy-2-nitro-4-(3-oxo-3-phenylmethoxypropoxy)benzoic acid Traditional Name: 4-(3-benzoxy-3-keto-propoxy)-5-methoxy-2-nitro-benzoic acid Formula: C18H17NO8 MolecularWeight: 375.32948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)O)[N+](=O)[O-])OCCC(=O)OCC2=CC=CC=C2

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)O)[N+](=O)[O-])OCCC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C18H17NO8/c1-25-15-9-13(18(21)22)14(19(23)24)10-16(15)26-8-7-17(20)27-11-12-5-3-2-4-6-12/h2-6,9-10H,7-8,11H2,1H3,(H,21,22)