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

Systemtic Name: methyl 2-(4-bromophenyl)-2-[[(E)-1-nitroso-2-(oxidanylamino)-2-phenyl-ethenyl]amino]ethanoate Openeye Name: methyl 2-(4-bromophenyl)-2-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenyl-vinyl]amino]acetate CAS Name: 2-(4-bromophenyl)-2-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenylethenyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-(4-bromophenyl)-2-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenylethenyl]amino]acetate Traditional Name: 2-(4-bromophenyl)-2-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenyl-vinyl]amino]acetic acid methyl ester Formula: C17H16BrN3O4 MolecularWeight: 406.23064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16BrN3O4/c1-25-17(22)15(12-7-9-13(18)10-8-12)19-16(21-24)14(20-23)11-5-3-2-4-6-11/h2-10,15,19-20,23H,1H3/b16-14+