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

Systemtic Name: N-[(E)-heptan-2-ylideneamino]-2,4-dinitro-aniline Openeye Name: N-[(E)-1-methylhexylideneamino]-2,4-dinitro-aniline CAS Name: N-[(E)-heptan-2-ylideneamino]-2,4-dinitroaniline IUPAC Name: N-[(E)-heptan-2-ylideneamino]-2,4-dinitroaniline Traditional Name: (2,4-dinitrophenyl)-[(E)-1-methylhexylideneamino]amine Formula: C13H18N4O4 MolecularWeight: 294.30642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N4O4/c1-3-4-5-6-10(2)14-15-12-8-7-11(16(18)19)9-13(12)17(20)21/h7-9,15H,3-6H2,1-2H3/b14-10+