[2-[cyclohexyl(phenyl)amino]-2-oxidanylidene-ethyl] 4-nitrobenzoate

Systemtic Name: [2-[cyclohexyl(phenyl)amino]-2-oxidanylidene-ethyl] 4-nitrobenzoate Openeye Name: [2-(N-cyclohexylanilino)-2-oxo-ethyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-(N-cyclohexylanilino)-2-oxoethyl] ester IUPAC Name: [2-(N-cyclohexylanilino)-2-oxoethyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-(N-cyclohexylanilino)-2-keto-ethyl] ester Formula: C21H22N2O5 MolecularWeight: 382.40978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(C2=CC=CC=C2)C(=O)COC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)N(C2=CC=CC=C2)C(=O)COC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O5/c24-20(15-28-21(25)16-11-13-19(14-12-16)23(26)27)22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1,3-4,7-8,11-14,18H,2,5-6,9-10,15H2