N-[2,4-bis(fluoranyl)phenyl]-4-(5-nitropyridin-1-ium-2-yl)-1,4-diazepane-1-carboxamide

Systemtic Name: N-[2,4-bis(fluoranyl)phenyl]-4-(5-nitropyridin-1-ium-2-yl)-1,4-diazepane-1-carboxamide Openeye Name: N-(2,4-difluorophenyl)-4-(5-nitropyridin-1-ium-2-yl)-1,4-diazepane-1-carboxamide CAS Name: N-(2,4-difluorophenyl)-4-(5-nitro-2-pyridin-1-iumyl)-1,4-diazepane-1-carboxamide IUPAC Name: N-(2,4-difluorophenyl)-4-(5-nitropyridin-1-ium-2-yl)-1,4-diazepane-1-carboxamide Traditional Name: N-(2,4-difluorophenyl)-4-(5-nitropyridin-1-ium-2-yl)-1,4-diazepane-1-carboxamide Formula: C17H18F2N5O3+ MolecularWeight: 378.353326

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)NC2=C(C=C(C=C2)F)F)C3=[NH+]C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN(C1)C(=O)NC2=C(C=C(C=C2)F)F)C3=[NH+]C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H17F2N5O3/c18-12-2-4-15(14(19)10-12)21-17(25)23-7-1-6-22(8-9-23)16-5-3-13(11-20-16)24(26)27/h2-5,10-11H,1,6-9H2,(H,21,25)/p+1