[2-methoxy-4-[(5-nitro-2-oxidanyl-phenyl)iminomethyl]phenyl] 2-prop-2-enylsulfanylethanoate

Systemtic Name: [2-methoxy-4-[(5-nitro-2-oxidanyl-phenyl)iminomethyl]phenyl] 2-prop-2-enylsulfanylethanoate Openeye Name: [4-[(2-hydroxy-5-nitro-phenyl)iminomethyl]-2-methoxy-phenyl] 2-allylsulfanylacetate CAS Name: 2-(prop-2-enylthio)acetic acid [4-[(2-hydroxy-5-nitrophenyl)iminomethyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(2-hydroxy-5-nitrophenyl)iminomethyl]-2-methoxyphenyl] 2-prop-2-enylsulfanylacetate Traditional Name: 2-(allylthio)acetic acid [4-[(2-hydroxy-5-nitro-phenyl)iminomethyl]-2-methoxy-phenyl] ester Formula: C19H18N2O6S MolecularWeight: 402.42102

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=NC2=C(C=CC(=C2)[N+](=O)[O-])O)OC(=O)CSCC=C

Isomeric SMILES

COC1=C(C=CC(=C1)C=NC2=C(C=CC(=C2)[N+](=O)[O-])O)OC(=O)CSCC=C

InChI

InChI=1S/C19H18N2O6S/c1-3-8-28-12-19(23)27-17-7-4-13(9-18(17)26-2)11-20-15-10-14(21(24)25)5-6-16(15)22/h3-7,9-11,22H,1,8,12H2,2H3