[2-oxidanylidene-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 4-methyl-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 4-methyl-3-nitro-benzoate Openeye Name: [2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid [2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] ester IUPAC Name: [2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid [2-keto-2-[(2,4,5-trimethoxybenzyl)amino]ethyl] ester Formula: C20H22N2O8 MolecularWeight: 418.39728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)NCC2=CC(=C(C=C2OC)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)NCC2=CC(=C(C=C2OC)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O8/c1-12-5-6-13(7-15(12)22(25)26)20(24)30-11-19(23)21-10-14-8-17(28-3)18(29-4)9-16(14)27-2/h5-9H,10-11H2,1-4H3,(H,21,23)