2-[2,2-bis(fluoranylmethyl)-6-nitro-chromen-4-yl]pyridin-1-ium-1-amine

Systemtic Name: 2-[2,2-bis(fluoranylmethyl)-6-nitro-chromen-4-yl]pyridin-1-ium-1-amine Openeye Name: 2-[2,2-bis(fluoromethyl)-6-nitro-chromen-4-yl]pyridin-1-ium-1-amine CAS Name: 2-[2,2-bis(fluoromethyl)-6-nitro-1-benzopyran-4-yl]-1-pyridin-1-iumamine IUPAC Name: 2-[2,2-bis(fluoromethyl)-6-nitrochromen-4-yl]pyridin-1-ium-1-amine Traditional Name: [2-[2,2-bis(fluoromethyl)-6-nitro-chromen-4-yl]pyridin-1-ium-1-yl]amine Formula: C16H14F2N3O3+ MolecularWeight: 334.297466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)C2=CC(OC3=C2C=C(C=C3)[N+](=O)[O-])(CF)CF)N

Isomeric SMILES

C1=CC=[N+](C(=C1)C2=CC(OC3=C2C=C(C=C3)[N+](=O)[O-])(CF)CF)N

InChI

InChI=1S/C16H14F2N3O3/c17-9-16(10-18)8-13(14-3-1-2-6-20(14)19)12-7-11(21(22)23)4-5-15(12)24-16/h1-8H,9-10,19H2/q+1