[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-ethoxy-3-nitro-benzoate

Systemtic Name: [2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-ethoxy-3-nitro-benzoate Openeye Name: [2-(2,5-dimethylanilino)-2-oxo-1-phenyl-ethyl] 4-ethoxy-3-nitro-benzoate CAS Name: 4-ethoxy-3-nitrobenzoic acid [2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 4-ethoxy-3-nitrobenzoate Traditional Name: 4-ethoxy-3-nitro-benzoic acid [2-(2,5-dimethylanilino)-2-keto-1-phenyl-ethyl] ester Formula: C25H24N2O6 MolecularWeight: 448.46786

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OC(C2=CC=CC=C2)C(=O)NC3=C(C=CC(=C3)C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OC(C2=CC=CC=C2)C(=O)NC3=C(C=CC(=C3)C)C)[N+](=O)[O-]

InChI

InChI=1S/C25H24N2O6/c1-4-32-22-13-12-19(15-21(22)27(30)31)25(29)33-23(18-8-6-5-7-9-18)24(28)26-20-14-16(2)10-11-17(20)3/h5-15,23H,4H2,1-3H3,(H,26,28)