[2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl] 2-(diethylamino)-5-nitro-benzoate

Systemtic Name: [2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl] 2-(diethylamino)-5-nitro-benzoate Openeye Name: [2-(4-tert-butylphenyl)-2-oxo-ethyl] 2-(diethylamino)-5-nitro-benzoate CAS Name: 2-(diethylamino)-5-nitrobenzoic acid [2-(4-tert-butylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-tert-butylphenyl)-2-oxoethyl] 2-(diethylamino)-5-nitrobenzoate Traditional Name: 2-(diethylamino)-5-nitro-benzoic acid [2-(4-tert-butylphenyl)-2-keto-ethyl] ester Formula: C23H28N2O5 MolecularWeight: 412.47882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O5/c1-6-24(7-2)20-13-12-18(25(28)29)14-19(20)22(27)30-15-21(26)16-8-10-17(11-9-16)23(3,4)5/h8-14H,6-7,15H2,1-5H3