(1-acetamido-4-oxidanyl-pentan-3-yl) 4-nitrobenzoate

Systemtic Name: (1-acetamido-4-oxidanyl-pentan-3-yl) 4-nitrobenzoate Openeye Name: [1-(2-acetamidoethyl)-2-hydroxy-propyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (1-acetamido-4-hydroxypentan-3-yl) ester IUPAC Name: (1-acetamido-4-hydroxypentan-3-yl) 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [1-(2-acetamidoethyl)-2-hydroxy-propyl] ester Formula: C14H18N2O6 MolecularWeight: 310.30252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O6/c1-9(17)13(7-8-15-10(2)18)22-14(19)11-3-5-12(6-4-11)16(20)21/h3-6,9,13,17H,7-8H2,1-2H3,(H,15,18)