(2-oxidanylidene-2-phenylazanyl-ethyl) 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) 4,5-dimethoxy-2-nitro-benzoate Openeye Name: (2-anilino-2-oxo-ethyl) 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid (2-anilino-2-keto-ethyl) ester Formula: C17H16N2O7 MolecularWeight: 360.31814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC(=O)NC2=CC=CC=C2)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC(=O)NC2=CC=CC=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C17H16N2O7/c1-24-14-8-12(13(19(22)23)9-15(14)25-2)17(21)26-10-16(20)18-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3,(H,18,20)