[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl] 5-ethoxy-4-methoxy-2-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl] 5-ethoxy-4-methoxy-2-nitro-benzoate Openeye Name: [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 5-ethoxy-4-methoxy-2-nitro-benzoate CAS Name: 5-ethoxy-4-methoxy-2-nitrobenzoic acid [2-oxo-2-(2,4,6-trimethylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 5-ethoxy-4-methoxy-2-nitrobenzoate Traditional Name: 5-ethoxy-4-methoxy-2-nitro-benzoic acid (2-keto-2-mesidino-ethyl) ester Formula: C21H24N2O7 MolecularWeight: 416.42446

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2C)C)C)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2C)C)C)[N+](=O)[O-])OC

InChI

InChI=1S/C21H24N2O7/c1-6-29-18-9-15(16(23(26)27)10-17(18)28-5)21(25)30-11-19(24)22-20-13(3)7-12(2)8-14(20)4/h7-10H,6,11H2,1-5H3,(H,22,24)