[2-[tert-butyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 4-ethoxy-3-nitro-benzoate

Systemtic Name: [2-[tert-butyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 4-ethoxy-3-nitro-benzoate Openeye Name: [2-[benzyl(tert-butyl)amino]-2-oxo-ethyl] 4-ethoxy-3-nitro-benzoate CAS Name: 4-ethoxy-3-nitrobenzoic acid [2-[tert-butyl-(phenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 4-ethoxy-3-nitrobenzoate Traditional Name: 4-ethoxy-3-nitro-benzoic acid [2-[benzyl(tert-butyl)amino]-2-keto-ethyl] ester Formula: C22H26N2O6 MolecularWeight: 414.45164

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)N(CC2=CC=CC=C2)C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)N(CC2=CC=CC=C2)C(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C22H26N2O6/c1-5-29-19-12-11-17(13-18(19)24(27)28)21(26)30-15-20(25)23(22(2,3)4)14-16-9-7-6-8-10-16/h6-13H,5,14-15H2,1-4H3