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

Systemtic Name: [1-azanyl-4-(2,4-dinitrophenoxy)butan-2-yl] ethanoate Openeye Name: [1-(aminomethyl)-3-(2,4-dinitrophenoxy)propyl] acetate CAS Name: acetic acid [1-amino-4-(2,4-dinitrophenoxy)butan-2-yl] ester IUPAC Name: [1-amino-4-(2,4-dinitrophenoxy)butan-2-yl] acetate Traditional Name: acetic acid [1-(aminomethyl)-3-(2,4-dinitrophenoxy)propyl] ester Formula: C12H15N3O7 MolecularWeight: 313.2634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O7/c1-8(16)22-10(7-13)4-5-21-12-3-2-9(14(17)18)6-11(12)15(19)20/h2-3,6,10H,4-5,7,13H2,1H3