4-methoxy-N-[2-[(5-nitropyridin-1-ium-2-yl)amino]ethyl]benzamide

Systemtic Name: 4-methoxy-N-[2-[(5-nitropyridin-1-ium-2-yl)amino]ethyl]benzamide Openeye Name: 4-methoxy-N-[2-[(5-nitropyridin-1-ium-2-yl)amino]ethyl]benzamide CAS Name: 4-methoxy-N-[2-[(5-nitro-2-pyridin-1-iumyl)amino]ethyl]benzamide IUPAC Name: 4-methoxy-N-[2-[(5-nitropyridin-1-ium-2-yl)amino]ethyl]benzamide Traditional Name: 4-methoxy-N-[2-[(5-nitropyridin-1-ium-2-yl)amino]ethyl]benzamide Formula: C15H17N4O4+ MolecularWeight: 317.31988

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NCCNC2=[NH+]C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NCCNC2=[NH+]C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H16N4O4/c1-23-13-5-2-11(3-6-13)15(20)17-9-8-16-14-7-4-12(10-18-14)19(21)22/h2-7,10H,8-9H2,1H3,(H,16,18)(H,17,20)/p+1