[2-oxidanylidene-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 3-nitrobenzoate

Systemtic Name: [2-oxidanylidene-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 3-nitrobenzoate Openeye Name: [2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] ester IUPAC Name: [2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-keto-2-[(2,4,5-trimethoxybenzyl)amino]ethyl] ester Formula: C19H20N2O8 MolecularWeight: 404.3707

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CNC(=O)COC(=O)C2=CC(=CC=C2)[N+](=O)[O-])OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1CNC(=O)COC(=O)C2=CC(=CC=C2)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C19H20N2O8/c1-26-15-9-17(28-3)16(27-2)8-13(15)10-20-18(22)11-29-19(23)12-5-4-6-14(7-12)21(24)25/h4-9H,10-11H2,1-3H3,(H,20,22)