N-[(E)-icosan-3-ylideneamino]-2,4-dinitro-aniline

Systemtic Name: N-[(E)-icosan-3-ylideneamino]-2,4-dinitro-aniline Openeye Name: N-[(E)-1-ethyloctadecylideneamino]-2,4-dinitro-aniline CAS Name: N-[(E)-eicosan-3-ylideneamino]-2,4-dinitroaniline IUPAC Name: N-[(E)-icosan-3-ylideneamino]-2,4-dinitroaniline Traditional Name: (2,4-dinitrophenyl)-[(E)-1-ethyloctadecylideneamino]amine Formula: C26H44N4O4 MolecularWeight: 476.65196

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])CC

Isomeric SMILES

CCCCCCCCCCCCCCCCC/C(=N/NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])/CC

InChI

InChI=1S/C26H44N4O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(4-2)27-28-25-21-20-24(29(31)32)22-26(25)30(33)34/h20-22,28H,3-19H2,1-2H3/b27-23+