prop-2-ynyl 3-[(2,4-dinitrophenyl)amino]propanoate

Systemtic Name: prop-2-ynyl 3-[(2,4-dinitrophenyl)amino]propanoate Openeye Name: prop-2-ynyl 3-(2,4-dinitroanilino)propanoate CAS Name: 3-(2,4-dinitroanilino)propanoic acid prop-2-ynyl ester IUPAC Name: prop-2-ynyl 3-(2,4-dinitroanilino)propanoate Traditional Name: 3-(2,4-dinitroanilino)propionic acid propargyl ester Formula: C12H11N3O6 MolecularWeight: 293.23224

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC(=O)CCNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C#CCOC(=O)CCNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H11N3O6/c1-2-7-21-12(16)5-6-13-10-4-3-9(14(17)18)8-11(10)15(19)20/h1,3-4,8,13H,5-7H2