3-[2-(4-nitrophenyl)ethylcarbamoylamino]-5-oxidanyl-pentanoate

Systemtic Name: 3-[2-(4-nitrophenyl)ethylcarbamoylamino]-5-oxidanyl-pentanoate Openeye Name: 5-hydroxy-3-[2-(4-nitrophenyl)ethylcarbamoylamino]pentanoate CAS Name: 5-hydroxy-3-[[[2-(4-nitrophenyl)ethylamino]-oxomethyl]amino]pentanoate IUPAC Name: 5-hydroxy-3-[2-(4-nitrophenyl)ethylcarbamoylamino]pentanoate Traditional Name: 5-hydroxy-3-[2-(4-nitrophenyl)ethylcarbamoylamino]valerate Formula: C14H18N3O6- MolecularWeight: 324.30922

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCNC(=O)NC(CCO)CC(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CCNC(=O)NC(CCO)CC(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H19N3O6/c18-8-6-11(9-13(19)20)16-14(21)15-7-5-10-1-3-12(4-2-10)17(22)23/h1-4,11,18H,5-9H2,(H,19,20)(H2,15,16,21)/p-1