[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxidanylidene-ethyl] 4-chloranyl-3-nitro-benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OCCNC(=O)COC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1OCCNC(=O)COC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

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