[2-[[2-(4-methylphenoxy)phenyl]amino]-2-oxidanylidene-ethyl] 5-chloranyl-2-nitro-benzoate

Systemtic Name: [2-[[2-(4-methylphenoxy)phenyl]amino]-2-oxidanylidene-ethyl] 5-chloranyl-2-nitro-benzoate Openeye Name: [2-[2-(4-methylphenoxy)anilino]-2-oxo-ethyl] 5-chloro-2-nitro-benzoate CAS Name: 5-chloro-2-nitrobenzoic acid [2-[2-(4-methylphenoxy)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-methylphenoxy)anilino]-2-oxoethyl] 5-chloro-2-nitrobenzoate Traditional Name: 5-chloro-2-nitro-benzoic acid [2-keto-2-[2-(4-methylphenoxy)anilino]ethyl] ester Formula: C22H17ClN2O6 MolecularWeight: 440.83318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=CC=CC=C2NC(=O)COC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)OC2=CC=CC=C2NC(=O)COC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H17ClN2O6/c1-14-6-9-16(10-7-14)31-20-5-3-2-4-18(20)24-21(26)13-30-22(27)17-12-15(23)8-11-19(17)25(28)29/h2-12H,13H2,1H3,(H,24,26)