methyl 4-[4-[(2,4-dinitrophenyl)amino]-2,6-dimethoxy-phenoxy]butanoate

Systemtic Name: methyl 4-[4-[(2,4-dinitrophenyl)amino]-2,6-dimethoxy-phenoxy]butanoate Openeye Name: methyl 4-[4-(2,4-dinitroanilino)-2,6-dimethoxy-phenoxy]butanoate CAS Name: 4-[4-(2,4-dinitroanilino)-2,6-dimethoxyphenoxy]butanoic acid methyl ester IUPAC Name: methyl 4-[4-(2,4-dinitroanilino)-2,6-dimethoxyphenoxy]butanoate Traditional Name: 4-[4-(2,4-dinitroanilino)-2,6-dimethoxy-phenoxy]butyric acid methyl ester Formula: C19H21N3O9 MolecularWeight: 435.38474

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OCCCC(=O)OC)OC)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OCCCC(=O)OC)OC)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O9/c1-28-16-9-12(10-17(29-2)19(16)31-8-4-5-18(23)30-3)20-14-7-6-13(21(24)25)11-15(14)22(26)27/h6-7,9-11,20H,4-5,8H2,1-3H3