prop-2-ynyl 6-[(2,4-dinitrophenyl)amino]hexanoate

Systemtic Name: prop-2-ynyl 6-[(2,4-dinitrophenyl)amino]hexanoate Openeye Name: prop-2-ynyl 6-(2,4-dinitroanilino)hexanoate CAS Name: 6-(2,4-dinitroanilino)hexanoic acid prop-2-ynyl ester IUPAC Name: prop-2-ynyl 6-(2,4-dinitroanilino)hexanoate Traditional Name: 6-(2,4-dinitroanilino)hexanoic acid propargyl ester Formula: C15H17N3O6 MolecularWeight: 335.31198

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC(=O)CCCCCNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C#CCOC(=O)CCCCCNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H17N3O6/c1-2-10-24-15(19)6-4-3-5-9-16-13-8-7-12(17(20)21)11-14(13)18(22)23/h1,7-8,11,16H,3-6,9-10H2