[1-acetamido-4-(2,4-dinitrophenoxy)butan-2-yl] ethanoate

Systemtic Name: [1-acetamido-4-(2,4-dinitrophenoxy)butan-2-yl] ethanoate Openeye Name: [1-(acetamidomethyl)-3-(2,4-dinitrophenoxy)propyl] acetate CAS Name: acetic acid [1-acetamido-4-(2,4-dinitrophenoxy)butan-2-yl] ester IUPAC Name: [1-acetamido-4-(2,4-dinitrophenoxy)butan-2-yl] acetate Traditional Name: acetic acid [1-(acetamidomethyl)-3-(2,4-dinitrophenoxy)propyl] ester Formula: C14H17N3O8 MolecularWeight: 355.30008

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC(CCOC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])OC(=O)C

Isomeric SMILES

CC(=O)NCC(CCOC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])OC(=O)C

InChI

InChI=1S/C14H17N3O8/c1-9(18)15-8-12(25-10(2)19)5-6-24-14-4-3-11(16(20)21)7-13(14)17(22)23/h3-4,7,12H,5-6,8H2,1-2H3,(H,15,18)