[3-nitro-4-(1-oxidanidylpyridin-1-ium-2-yl)oxy-phenyl]-phenyl-methanone

Systemtic Name: [3-nitro-4-(1-oxidanidylpyridin-1-ium-2-yl)oxy-phenyl]-phenyl-methanone Openeye Name: [3-nitro-4-(1-oxidopyridin-1-ium-2-yl)oxy-phenyl]-phenyl-methanone CAS Name: [3-nitro-4-[(1-oxido-2-pyridin-1-iumyl)oxy]phenyl]-phenylmethanone IUPAC Name: [3-nitro-4-(1-oxidopyridin-1-ium-2-yl)oxyphenyl]-phenylmethanone Traditional Name: [3-nitro-4-(1-oxidopyridin-1-ium-2-yl)oxy-phenyl]-phenyl-methanone Formula: C18H12N2O5 MolecularWeight: 336.29828

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)OC3=CC=CC=[N+]3[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)OC3=CC=CC=[N+]3[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H12N2O5/c21-18(13-6-2-1-3-7-13)14-9-10-16(15(12-14)20(23)24)25-17-8-4-5-11-19(17)22/h1-12H