[2-[2-[ethyl-(3-methylphenyl)amino]ethylamino]-2-oxidanylidene-ethyl] 2-chloranyl-5-nitro-benzoate

Systemtic Name: [2-[2-[ethyl-(3-methylphenyl)amino]ethylamino]-2-oxidanylidene-ethyl] 2-chloranyl-5-nitro-benzoate Openeye Name: [2-[2-(N-ethyl-3-methyl-anilino)ethylamino]-2-oxo-ethyl] 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-nitrobenzoic acid [2-[2-(N-ethyl-3-methylanilino)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(N-ethyl-3-methylanilino)ethylamino]-2-oxoethyl] 2-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-nitro-benzoic acid [2-[2-(N-ethyl-3-methyl-anilino)ethylamino]-2-keto-ethyl] ester Formula: C20H22ClN3O5 MolecularWeight: 419.85878

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCNC(=O)COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])Cl)C2=CC=CC(=C2)C

Isomeric SMILES

CCN(CCNC(=O)COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])Cl)C2=CC=CC(=C2)C

InChI

InChI=1S/C20H22ClN3O5/c1-3-23(15-6-4-5-14(2)11-15)10-9-22-19(25)13-29-20(26)17-12-16(24(27)28)7-8-18(17)21/h4-8,11-12H,3,9-10,13H2,1-2H3,(H,22,25)