[2-[1-(2-methoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 4-chloranyl-2-nitro-benzoate

Systemtic Name: [2-[1-(2-methoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 4-chloranyl-2-nitro-benzoate Openeye Name: [2-[1-(2-methoxyphenyl)ethylamino]-2-oxo-ethyl] 4-chloro-2-nitro-benzoate CAS Name: 4-chloro-2-nitrobenzoic acid [2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 4-chloro-2-nitrobenzoate Traditional Name: 4-chloro-2-nitro-benzoic acid [2-keto-2-[1-(2-methoxyphenyl)ethylamino]ethyl] ester Formula: C18H17ClN2O6 MolecularWeight: 392.79038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1OC)NC(=O)COC(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC=CC=C1OC)NC(=O)COC(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H17ClN2O6/c1-11(13-5-3-4-6-16(13)26-2)20-17(22)10-27-18(23)14-8-7-12(19)9-15(14)21(24)25/h3-9,11H,10H2,1-2H3,(H,20,22)