ethyl 2-acetamido-3-(2,6-dinitro-4-oxidanyl-phenyl)propanoate

Systemtic Name: ethyl 2-acetamido-3-(2,6-dinitro-4-oxidanyl-phenyl)propanoate Openeye Name: ethyl 2-acetamido-3-(4-hydroxy-2,6-dinitro-phenyl)propanoate CAS Name: 2-acetamido-3-(4-hydroxy-2,6-dinitrophenyl)propanoic acid ethyl ester IUPAC Name: ethyl 2-acetamido-3-(4-hydroxy-2,6-dinitrophenyl)propanoate Traditional Name: 2-acetamido-3-(4-hydroxy-2,6-dinitro-phenyl)propionic acid ethyl ester Formula: C13H15N3O8 MolecularWeight: 341.2735

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=C(C=C(C=C1[N+](=O)[O-])O)[N+](=O)[O-])NC(=O)C

Isomeric SMILES

CCOC(=O)C(CC1=C(C=C(C=C1[N+](=O)[O-])O)[N+](=O)[O-])NC(=O)C

InChI

InChI=1S/C13H15N3O8/c1-3-24-13(19)10(14-7(2)17)6-9-11(15(20)21)4-8(18)5-12(9)16(22)23/h4-5,10,18H,3,6H2,1-2H3,(H,14,17)