N-[4-fluoranyl-2-nitro-5-[2-(pyridin-1-ium-2-ylamino)ethylamino]phenyl]ethanamide

Systemtic Name: N-[4-fluoranyl-2-nitro-5-[2-(pyridin-1-ium-2-ylamino)ethylamino]phenyl]ethanamide Openeye Name: N-[4-fluoro-2-nitro-5-[2-(pyridin-1-ium-2-ylamino)ethylamino]phenyl]acetamide CAS Name: N-[4-fluoro-2-nitro-5-[2-(2-pyridin-1-iumylamino)ethylamino]phenyl]acetamide IUPAC Name: N-[4-fluoro-2-nitro-5-[2-(pyridin-1-ium-2-ylamino)ethylamino]phenyl]acetamide Traditional Name: N-[4-fluoro-2-nitro-5-[2-(pyridin-1-ium-2-ylamino)ethylamino]phenyl]acetamide Formula: C15H17FN5O3+ MolecularWeight: 334.325583

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1[N+](=O)[O-])F)NCCNC2=CC=CC=[NH+]2

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1[N+](=O)[O-])F)NCCNC2=CC=CC=[NH+]2

InChI

InChI=1S/C15H16FN5O3/c1-10(22)20-13-9-12(11(16)8-14(13)21(23)24)17-6-7-19-15-4-2-3-5-18-15/h2-5,8-9,17H,6-7H2,1H3,(H,18,19)(H,20,22)/p+1