[2-[cyclohexyl(phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(5-nitrofuran-2-yl)prop-2-enoate

Systemtic Name: [2-[cyclohexyl(phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(5-nitrofuran-2-yl)prop-2-enoate Openeye Name: [2-(N-cyclohexylanilino)-2-oxo-ethyl] (E)-3-(5-nitro-2-furyl)prop-2-enoate CAS Name: (E)-3-(5-nitro-2-furanyl)-2-propenoic acid [2-(N-cyclohexylanilino)-2-oxoethyl] ester IUPAC Name: [2-(N-cyclohexylanilino)-2-oxoethyl] (E)-3-(5-nitrofuran-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-nitro-2-furyl)acrylic acid [2-(N-cyclohexylanilino)-2-keto-ethyl] ester Formula: C21H22N2O6 MolecularWeight: 398.40918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(C2=CC=CC=C2)C(=O)COC(=O)C=CC3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)N(C2=CC=CC=C2)C(=O)COC(=O)/C=C/C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O6/c24-19(15-28-21(25)14-12-18-11-13-20(29-18)23(26)27)22(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1,3-4,7-8,11-14,17H,2,5-6,9-10,15H2/b14-12+