methyl 4-[5-[[(E)-1-nitroso-2-(oxidanylamino)-2-phenyl-ethenyl]amino]pyridin-2-yl]benzoate

Systemtic Name: methyl 4-[5-[[(E)-1-nitroso-2-(oxidanylamino)-2-phenyl-ethenyl]amino]pyridin-2-yl]benzoate Openeye Name: methyl 4-[5-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenyl-vinyl]amino]-2-pyridyl]benzoate CAS Name: 4-[5-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenylethenyl]amino]-2-pyridinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenylethenyl]amino]pyridin-2-yl]benzoate Traditional Name: 4-[5-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenyl-vinyl]amino]-2-pyridyl]benzoic acid methyl ester Formula: C21H18N4O4 MolecularWeight: 390.39202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=NC=C(C=C2)NC(=C(C3=CC=CC=C3)NO)N=O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=NC=C(C=C2)N/C(=C(/C3=CC=CC=C3)\NO)/N=O

InChI

InChI=1S/C21H18N4O4/c1-29-21(26)16-9-7-14(8-10-16)18-12-11-17(13-22-18)23-20(25-28)19(24-27)15-5-3-2-4-6-15/h2-13,23-24,27H,1H3/b20-19+