N-[(E)-6-chloranylhexan-2-ylideneamino]-2,4-dinitro-aniline

Systemtic Name: N-[(E)-6-chloranylhexan-2-ylideneamino]-2,4-dinitro-aniline Openeye Name: N-[(E)-(5-chloro-1-methyl-pentylidene)amino]-2,4-dinitro-aniline CAS Name: N-[(E)-6-chlorohexan-2-ylideneamino]-2,4-dinitroaniline IUPAC Name: N-[(E)-6-chlorohexan-2-ylideneamino]-2,4-dinitroaniline Traditional Name: [(E)-(5-chloro-1-methyl-pentylidene)amino]-(2,4-dinitrophenyl)amine Formula: C12H15ClN4O4 MolecularWeight: 314.7249

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15ClN4O4/c1-9(4-2-3-7-13)14-15-11-6-5-10(16(18)19)8-12(11)17(20)21/h5-6,8,15H,2-4,7H2,1H3/b14-9+