[(2E,3S,4S)-2-[(2,4-dinitrophenyl)hydrazinylidene]-4-methyl-hexan-3-yl] ethanoate

Systemtic Name: [(2E,3S,4S)-2-[(2,4-dinitrophenyl)hydrazinylidene]-4-methyl-hexan-3-yl] ethanoate Openeye Name: [(1S,2S)-1-[(E)-N-(2,4-dinitroanilino)-C-methyl-carbonimidoyl]-2-methyl-butyl] acetate CAS Name: acetic acid [(2E,3S,4S)-2-[(2,4-dinitrophenyl)hydrazinylidene]-4-methylhexan-3-yl] ester IUPAC Name: [(2E,3S,4S)-2-[(2,4-dinitrophenyl)hydrazinylidene]-4-methylhexan-3-yl] acetate Traditional Name: acetic acid [(1S,2S)-1-[(E)-N-(2,4-dinitroanilino)-C-methyl-carbonimidoyl]-2-methyl-butyl] ester Formula: C15H20N4O6 MolecularWeight: 352.3425

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])C)OC(=O)C

Isomeric SMILES

CC[C@H](C)[C@@H](/C(=N/NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])/C)OC(=O)C

InChI

InChI=1S/C15H20N4O6/c1-5-9(2)15(25-11(4)20)10(3)16-17-13-7-6-12(18(21)22)8-14(13)19(23)24/h6-9,15,17H,5H2,1-4H3/b16-10+/t9-,15-/m0/s1