3-(cyclohexylcarbamoylamino)-N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]propanamide

Systemtic Name: 3-(cyclohexylcarbamoylamino)-N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]propanamide Openeye Name: 3-(cyclohexylcarbamoylamino)-N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]propanamide CAS Name: 3-[[(cyclohexylamino)-oxomethyl]amino]-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]propanamide IUPAC Name: 3-(cyclohexylcarbamoylamino)-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]propanamide Traditional Name: 3-(cyclohexylcarbamoylamino)-N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]propionamide Formula: C20H30N4O6 MolecularWeight: 422.4754

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCNC(=O)CCNC(=O)NC2CCCCC2)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCNC(=O)CCNC(=O)NC2CCCCC2)[N+](=O)[O-])OC

InChI

InChI=1S/C20H30N4O6/c1-29-17-12-14(16(24(27)28)13-18(17)30-2)8-10-21-19(25)9-11-22-20(26)23-15-6-4-3-5-7-15/h12-13,15H,3-11H2,1-2H3,(H,21,25)(H2,22,23,26)