[1-acetamido-3-(2,4-dinitrophenoxy)propan-2-yl] ethanoate

Systemtic Name: [1-acetamido-3-(2,4-dinitrophenoxy)propan-2-yl] ethanoate Openeye Name: [1-(acetamidomethyl)-2-(2,4-dinitrophenoxy)ethyl] acetate CAS Name: acetic acid [1-acetamido-3-(2,4-dinitrophenoxy)propan-2-yl] ester IUPAC Name: [1-acetamido-3-(2,4-dinitrophenoxy)propan-2-yl] acetate Traditional Name: acetic acid [1-(acetamidomethyl)-2-(2,4-dinitrophenoxy)ethyl] ester Formula: C13H15N3O8 MolecularWeight: 341.2735

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC(COC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])OC(=O)C

Isomeric SMILES

CC(=O)NCC(COC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])OC(=O)C

InChI

InChI=1S/C13H15N3O8/c1-8(17)14-6-11(24-9(2)18)7-23-13-4-3-10(15(19)20)5-12(13)16(21)22/h3-5,11H,6-7H2,1-2H3,(H,14,17)