[2-(cyclohexylamino)-1-(4-nitrophenyl)-2-oxidanylidene-ethyl] 3-phenylprop-2-ynoate

Systemtic Name: [2-(cyclohexylamino)-1-(4-nitrophenyl)-2-oxidanylidene-ethyl] 3-phenylprop-2-ynoate Openeye Name: [2-(cyclohexylamino)-1-(4-nitrophenyl)-2-oxo-ethyl] 3-phenylprop-2-ynoate CAS Name: 3-phenyl-2-propynoic acid [2-(cyclohexylamino)-1-(4-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylamino)-1-(4-nitrophenyl)-2-oxoethyl] 3-phenylprop-2-ynoate Traditional Name: 3-phenylpropiolic acid [2-(cyclohexylamino)-2-keto-1-(4-nitrophenyl)ethyl] ester Formula: C23H22N2O5 MolecularWeight: 406.43118

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C(C2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C#CC3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)NC(=O)C(C2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C#CC3=CC=CC=C3

InChI

InChI=1S/C23H22N2O5/c26-21(16-11-17-7-3-1-4-8-17)30-22(18-12-14-20(15-13-18)25(28)29)23(27)24-19-9-5-2-6-10-19/h1,3-4,7-8,12-15,19,22H,2,5-6,9-10H2,(H,24,27)