[2-[2-(4-chloranylphenoxy)ethylamino]-2-oxidanylidene-ethyl] 4-methoxy-3-nitro-benzoate

Systemtic Name: [2-[2-(4-chloranylphenoxy)ethylamino]-2-oxidanylidene-ethyl] 4-methoxy-3-nitro-benzoate Openeye Name: [2-[2-(4-chlorophenoxy)ethylamino]-2-oxo-ethyl] 4-methoxy-3-nitro-benzoate CAS Name: 4-methoxy-3-nitrobenzoic acid [2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl] 4-methoxy-3-nitrobenzoate Traditional Name: 4-methoxy-3-nitro-benzoic acid [2-[2-(4-chlorophenoxy)ethylamino]-2-keto-ethyl] ester Formula: C18H17ClN2O7 MolecularWeight: 408.78978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)NCCOC2=CC=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)NCCOC2=CC=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H17ClN2O7/c1-26-16-7-2-12(10-15(16)21(24)25)18(23)28-11-17(22)20-8-9-27-14-5-3-13(19)4-6-14/h2-7,10H,8-9,11H2,1H3,(H,20,22)