5-[(E)-4-chloranylbut-2-enyl]-4-methyl-2,6-dinitro-benzene-1,3-diamine

Systemtic Name: 5-[(E)-4-chloranylbut-2-enyl]-4-methyl-2,6-dinitro-benzene-1,3-diamine Openeye Name: 5-[(E)-4-chlorobut-2-enyl]-4-methyl-2,6-dinitro-benzene-1,3-diamine CAS Name: 5-[(E)-4-chlorobut-2-enyl]-4-methyl-2,6-dinitrobenzene-1,3-diamine IUPAC Name: 5-[(E)-4-chlorobut-2-enyl]-4-methyl-2,6-dinitrobenzene-1,3-diamine Traditional Name: [3-amino-5-[(E)-4-chlorobut-2-enyl]-4-methyl-2,6-dinitro-phenyl]amine Formula: C11H13ClN4O4 MolecularWeight: 300.69832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1N)[N+](=O)[O-])N)[N+](=O)[O-])CC=CCCl

Isomeric SMILES

CC1=C(C(=C(C(=C1N)[N+](=O)[O-])N)[N+](=O)[O-])C/C=C/CCl

InChI

InChI=1S/C11H13ClN4O4/c1-6-7(4-2-3-5-12)10(15(17)18)9(14)11(8(6)13)16(19)20/h2-3H,4-5,13-14H2,1H3/b3-2+