[(1E,3Z)-4-bromanyl-3,4-bis(chloranyl)-2-nitro-1-[(phenylmethyl)amino]buta-1,3-dienyl]-(phenylmethyl)azanium

Systemtic Name: [(1E,3Z)-4-bromanyl-3,4-bis(chloranyl)-2-nitro-1-[(phenylmethyl)amino]buta-1,3-dienyl]-(phenylmethyl)azanium Openeye Name: benzyl-[(1E,3Z)-1-(benzylamino)-4-bromo-3,4-dichloro-2-nitro-buta-1,3-dienyl]ammonium CAS Name: [(1E,3Z)-4-bromo-3,4-dichloro-2-nitro-1-[(phenylmethyl)amino]buta-1,3-dienyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-[(1E,3Z)-1-(benzylamino)-4-bromo-3,4-dichloro-2-nitrobuta-1,3-dienyl]azanium Traditional Name: benzyl-[(1E,3Z)-1-(benzylamino)-4-bromo-3,4-dichloro-2-nitro-buta-1,3-dienyl]ammonium Formula: C18H17BrCl2N3O2+ MolecularWeight: 458.15648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[NH2+]C(=C(C(=C(Cl)Br)Cl)[N+](=O)[O-])NCC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)C[NH2+]/C(=C(\C(=C(/Cl)\Br)\Cl)/[N+](=O)[O-])/NCC2=CC=CC=C2

InChI

InChI=1S/C18H16BrCl2N3O2/c19-17(21)15(20)16(24(25)26)18(22-11-13-7-3-1-4-8-13)23-12-14-9-5-2-6-10-14/h1-10,22-23H,11-12H2/p+1/b17-15+