N-[(E)-1,1-bis(chloranyl)hex-1-en-3-ylideneamino]-2,4-dinitro-aniline

Systemtic Name: N-[(E)-1,1-bis(chloranyl)hex-1-en-3-ylideneamino]-2,4-dinitro-aniline Openeye Name: N-[(E)-1-(2,2-dichlorovinyl)butylideneamino]-2,4-dinitro-aniline CAS Name: N-[(E)-1,1-dichlorohex-1-en-3-ylideneamino]-2,4-dinitroaniline IUPAC Name: N-[(E)-1,1-dichlorohex-1-en-3-ylideneamino]-2,4-dinitroaniline Traditional Name: [(E)-(3,3-dichloro-1-propyl-prop-2-enylidene)amino]-(2,4-dinitrophenyl)amine Formula: C12H12Cl2N4O4 MolecularWeight: 347.15408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12Cl2N4O4/c1-2-3-8(6-12(13)14)15-16-10-5-4-9(17(19)20)7-11(10)18(21)22/h4-7,16H,2-3H2,1H3/b15-8+