methyl (Z)-6-nitroso-5-(oxidanylamino)-6-(6-oxidanylnaphthalen-2-yl)hex-5-enoate

Systemtic Name: methyl (Z)-6-nitroso-5-(oxidanylamino)-6-(6-oxidanylnaphthalen-2-yl)hex-5-enoate Openeye Name: methyl (Z)-5-(hydroxyamino)-6-(6-hydroxy-2-naphthyl)-6-nitroso-hex-5-enoate CAS Name: (Z)-5-(hydroxyamino)-6-(6-hydroxy-2-naphthalenyl)-6-nitroso-5-hexenoic acid methyl ester IUPAC Name: methyl (Z)-5-(hydroxyamino)-6-(6-hydroxynaphthalen-2-yl)-6-nitrosohex-5-enoate Traditional Name: (Z)-5-(hydroxyamino)-6-(6-hydroxy-2-naphthyl)-6-nitroso-hex-5-enoic acid methyl ester Formula: C17H18N2O5 MolecularWeight: 330.33522

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC(=C(C1=CC2=C(C=C1)C=C(C=C2)O)N=O)NO

Isomeric SMILES

COC(=O)CCC/C(=C(\C1=CC2=C(C=C1)C=C(C=C2)O)/N=O)/NO

InChI

InChI=1S/C17H18N2O5/c1-24-16(21)4-2-3-15(18-22)17(19-23)13-6-5-12-10-14(20)8-7-11(12)9-13/h5-10,18,20,22H,2-4H2,1H3/b17-15-