3-(4-nitrophenyl)-5-oxidanyl-3-(phenethylcarbamoylamino)pentanoate

Systemtic Name: 3-(4-nitrophenyl)-5-oxidanyl-3-(phenethylcarbamoylamino)pentanoate Openeye Name: 5-hydroxy-3-(4-nitrophenyl)-3-(phenethylcarbamoylamino)pentanoate CAS Name: 5-hydroxy-3-(4-nitrophenyl)-3-[[oxo-(phenethylamino)methyl]amino]pentanoate IUPAC Name: 5-hydroxy-3-(4-nitrophenyl)-3-(phenethylcarbamoylamino)pentanoate Traditional Name: 5-hydroxy-3-(4-nitrophenyl)-3-(phenethylcarbamoylamino)valerate Formula: C20H22N3O6- MolecularWeight: 400.40518

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)NC(CCO)(CC(=O)[O-])C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)NC(CCO)(CC(=O)[O-])C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O6/c24-13-11-20(14-18(25)26,16-6-8-17(9-7-16)23(28)29)22-19(27)21-12-10-15-4-2-1-3-5-15/h1-9,24H,10-14H2,(H,25,26)(H2,21,22,27)/p-1