[2-oxidanylidene-2-[(4-phenoxyphenyl)amino]ethyl] 4-methyl-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[(4-phenoxyphenyl)amino]ethyl] 4-methyl-3-nitro-benzoate Openeye Name: [2-oxo-2-(4-phenoxyanilino)ethyl] 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid [2-oxo-2-(4-phenoxyanilino)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenoxyanilino)ethyl] 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid [2-keto-2-(4-phenoxyanilino)ethyl] ester Formula: C22H18N2O6 MolecularWeight: 406.38812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H18N2O6/c1-15-7-8-16(13-20(15)24(27)28)22(26)29-14-21(25)23-17-9-11-19(12-10-17)30-18-5-3-2-4-6-18/h2-13H,14H2,1H3,(H,23,25)