methyl 6-(4-nitro-3-phenylazanyl-phenoxy)hexanoate

Systemtic Name: methyl 6-(4-nitro-3-phenylazanyl-phenoxy)hexanoate Openeye Name: methyl 6-(3-anilino-4-nitro-phenoxy)hexanoate CAS Name: 6-(3-anilino-4-nitrophenoxy)hexanoic acid methyl ester IUPAC Name: methyl 6-(3-anilino-4-nitrophenoxy)hexanoate Traditional Name: 6-(3-anilino-4-nitro-phenoxy)hexanoic acid methyl ester Formula: C19H22N2O5 MolecularWeight: 358.38838

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCOC1=CC(=C(C=C1)[N+](=O)[O-])NC2=CC=CC=C2

Isomeric SMILES

COC(=O)CCCCCOC1=CC(=C(C=C1)[N+](=O)[O-])NC2=CC=CC=C2

InChI

InChI=1S/C19H22N2O5/c1-25-19(22)10-6-3-7-13-26-16-11-12-18(21(23)24)17(14-16)20-15-8-4-2-5-9-15/h2,4-5,8-9,11-12,14,20H,3,6-7,10,13H2,1H3