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

Systemtic Name: [1-oxidanylidene-1-[(4-phenoxyphenyl)amino]propan-2-yl] 2-methyl-3-nitro-benzoate Openeye Name: [1-methyl-2-oxo-2-(4-phenoxyanilino)ethyl] 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic acid [1-oxo-1-(4-phenoxyanilino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(4-phenoxyanilino)propan-2-yl] 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-nitro-benzoic acid [2-keto-1-methyl-2-(4-phenoxyanilino)ethyl] ester Formula: C23H20N2O6 MolecularWeight: 420.4147

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20N2O6/c1-15-20(9-6-10-21(15)25(28)29)23(27)30-16(2)22(26)24-17-11-13-19(14-12-17)31-18-7-4-3-5-8-18/h3-14,16H,1-2H3,(H,24,26)