[2-(4-cyclohexylphenyl)-2-oxidanylidene-ethyl] 4-(ethylamino)-3-nitro-benzoate

Systemtic Name: [2-(4-cyclohexylphenyl)-2-oxidanylidene-ethyl] 4-(ethylamino)-3-nitro-benzoate Openeye Name: [2-(4-cyclohexylphenyl)-2-oxo-ethyl] 4-(ethylamino)-3-nitro-benzoate CAS Name: 4-(ethylamino)-3-nitrobenzoic acid [2-(4-cyclohexylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-cyclohexylphenyl)-2-oxoethyl] 4-(ethylamino)-3-nitrobenzoate Traditional Name: 4-(ethylamino)-3-nitro-benzoic acid [2-(4-cyclohexylphenyl)-2-keto-ethyl] ester Formula: C23H26N2O5 MolecularWeight: 410.46294

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC=C(C=C2)C3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC=C(C=C2)C3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C23H26N2O5/c1-2-24-20-13-12-19(14-21(20)25(28)29)23(27)30-15-22(26)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h8-14,16,24H,2-7,15H2,1H3