1-[2-[2,2-bis(fluoranylmethyl)-6-nitro-chromen-4-yl]pyridin-1-ium-1-yl]-3-phenyl-urea

Systemtic Name: 1-[2-[2,2-bis(fluoranylmethyl)-6-nitro-chromen-4-yl]pyridin-1-ium-1-yl]-3-phenyl-urea Openeye Name: 1-[2-[2,2-bis(fluoromethyl)-6-nitro-chromen-4-yl]pyridin-1-ium-1-yl]-3-phenyl-urea CAS Name: 1-[2-[2,2-bis(fluoromethyl)-6-nitro-1-benzopyran-4-yl]-1-pyridin-1-iumyl]-3-phenylurea IUPAC Name: 1-[2-[2,2-bis(fluoromethyl)-6-nitrochromen-4-yl]pyridin-1-ium-1-yl]-3-phenylurea Traditional Name: 1-[2-[2,2-bis(fluoromethyl)-6-nitro-chromen-4-yl]pyridin-1-ium-1-yl]-3-phenyl-urea Formula: C23H19F2N4O4+ MolecularWeight: 453.418166

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)N[N+]2=CC=CC=C2C3=CC(OC4=C3C=C(C=C4)[N+](=O)[O-])(CF)CF

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)N[N+]2=CC=CC=C2C3=CC(OC4=C3C=C(C=C4)[N+](=O)[O-])(CF)CF

InChI

InChI=1S/C23H18F2N4O4/c24-14-23(15-25)13-19(18-12-17(29(31)32)9-10-21(18)33-23)20-8-4-5-11-28(20)27-22(30)26-16-6-2-1-3-7-16/h1-13H,14-15H2,(H-,26,27,30)/p+1