methyl 3-(4-bromophenyl)-3-[[(E)-1-nitroso-2-(oxidanylamino)-2-phenyl-ethenyl]amino]propanoate

Systemtic Name: methyl 3-(4-bromophenyl)-3-[[(E)-1-nitroso-2-(oxidanylamino)-2-phenyl-ethenyl]amino]propanoate Openeye Name: methyl 3-(4-bromophenyl)-3-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenyl-vinyl]amino]propanoate CAS Name: 3-(4-bromophenyl)-3-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenylethenyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-(4-bromophenyl)-3-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenylethenyl]amino]propanoate Traditional Name: 3-(4-bromophenyl)-3-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenyl-vinyl]amino]propionic acid methyl ester Formula: C18H18BrN3O4 MolecularWeight: 420.25722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrN3O4/c1-26-16(23)11-15(12-7-9-14(19)10-8-12)20-18(22-25)17(21-24)13-5-3-2-4-6-13/h2-10,15,20-21,24H,11H2,1H3/b18-17+