1-[(E)-6-methyl-3-nitro-hept-3-en-4-yl]benzotriazole

Systemtic Name: 1-[(E)-6-methyl-3-nitro-hept-3-en-4-yl]benzotriazole Openeye Name: 1-[(E)-1-isobutyl-2-nitro-but-1-enyl]benzotriazole CAS Name: 1-[(E)-6-methyl-3-nitrohept-3-en-4-yl]benzotriazole IUPAC Name: 1-[(E)-6-methyl-3-nitrohept-3-en-4-yl]benzotriazole Traditional Name: 1-[(E)-1-isobutyl-2-nitro-but-1-enyl]benzotriazole Formula: C14H18N4O2 MolecularWeight: 274.31832

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C(CC(C)C)N1C2=CC=CC=C2N=N1)[N+](=O)[O-]

Isomeric SMILES

CC/C(=C(/CC(C)C)\N1C2=CC=CC=C2N=N1)/[N+](=O)[O-]

InChI

InChI=1S/C14H18N4O2/c1-4-12(18(19)20)14(9-10(2)3)17-13-8-6-5-7-11(13)15-16-17/h5-8,10H,4,9H2,1-3H3/b14-12+