[2-[1-(3-chlorophenyl)ethylamino]-2-oxidanylidene-ethyl] 2-methyl-6-nitro-benzoate

Systemtic Name: [2-[1-(3-chlorophenyl)ethylamino]-2-oxidanylidene-ethyl] 2-methyl-6-nitro-benzoate Openeye Name: [2-[1-(3-chlorophenyl)ethylamino]-2-oxo-ethyl] 2-methyl-6-nitro-benzoate CAS Name: 2-methyl-6-nitrobenzoic acid [2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl] 2-methyl-6-nitrobenzoate Traditional Name: 2-methyl-6-nitro-benzoic acid [2-[1-(3-chlorophenyl)ethylamino]-2-keto-ethyl] ester Formula: C18H17ClN2O5 MolecularWeight: 376.79098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)OCC(=O)NC(C)C2=CC(=CC=C2)Cl

Isomeric SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)OCC(=O)NC(C)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C18H17ClN2O5/c1-11-5-3-8-15(21(24)25)17(11)18(23)26-10-16(22)20-12(2)13-6-4-7-14(19)9-13/h3-9,12H,10H2,1-2H3,(H,20,22)