[1-oxidanylidene-1-[(4-phenoxyphenyl)amino]propan-2-yl] 4-chloranyl-3-nitro-benzoate

Systemtic Name: [1-oxidanylidene-1-[(4-phenoxyphenyl)amino]propan-2-yl] 4-chloranyl-3-nitro-benzoate Openeye Name: [1-methyl-2-oxo-2-(4-phenoxyanilino)ethyl] 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid [1-oxo-1-(4-phenoxyanilino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(4-phenoxyanilino)propan-2-yl] 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid [2-keto-1-methyl-2-(4-phenoxyanilino)ethyl] ester Formula: C22H17ClN2O6 MolecularWeight: 440.83318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)OC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)OC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

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