N-(4-bromanyl-2-methyl-phenyl)-2-[(3-nitropyridin-1-ium-2-yl)amino]ethanamide

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-[(3-nitropyridin-1-ium-2-yl)amino]ethanamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-2-[(3-nitropyridin-1-ium-2-yl)amino]acetamide CAS Name: N-(4-bromo-2-methylphenyl)-2-[(3-nitro-2-pyridin-1-iumyl)amino]acetamide IUPAC Name: N-(4-bromo-2-methylphenyl)-2-[(3-nitropyridin-1-ium-2-yl)amino]acetamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-2-[(3-nitropyridin-1-ium-2-yl)amino]acetamide Formula: C14H14BrN4O3+ MolecularWeight: 366.18996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CNC2=C(C=CC=[NH+]2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CNC2=C(C=CC=[NH+]2)[N+](=O)[O-]

InChI

InChI=1S/C14H13BrN4O3/c1-9-7-10(15)4-5-11(9)18-13(20)8-17-14-12(19(21)22)3-2-6-16-14/h2-7H,8H2,1H3,(H,16,17)(H,18,20)/p+1