methyl 5-bromanyl-6-[[(E)-1-nitroso-2-(oxidanylamino)-2-phenyl-ethenyl]amino]pyridine-3-carboxylate

Systemtic Name: methyl 5-bromanyl-6-[[(E)-1-nitroso-2-(oxidanylamino)-2-phenyl-ethenyl]amino]pyridine-3-carboxylate Openeye Name: methyl 5-bromo-6-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenyl-vinyl]amino]pyridine-3-carboxylate CAS Name: 5-bromo-6-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenylethenyl]amino]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-bromo-6-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenylethenyl]amino]pyridine-3-carboxylate Traditional Name: 5-bromo-6-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenyl-vinyl]amino]nicotinic acid methyl ester Formula: C15H13BrN4O4 MolecularWeight: 393.19212

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(N=C1)NC(=C(C2=CC=CC=C2)NO)N=O)Br

Isomeric SMILES

COC(=O)C1=CC(=C(N=C1)N/C(=C(/C2=CC=CC=C2)\NO)/N=O)Br

InChI

InChI=1S/C15H13BrN4O4/c1-24-15(21)10-7-11(16)13(17-8-10)18-14(20-23)12(19-22)9-5-3-2-4-6-9/h2-8,19,22H,1H3,(H,17,18)/b14-12+