4-[4-[(2,4-dinitrophenyl)amino]-2,6-dimethoxy-phenoxy]butanoic acid

Systemtic Name: 4-[4-[(2,4-dinitrophenyl)amino]-2,6-dimethoxy-phenoxy]butanoic acid Openeye Name: 4-[4-(2,4-dinitroanilino)-2,6-dimethoxy-phenoxy]butanoic acid CAS Name: 4-[4-(2,4-dinitroanilino)-2,6-dimethoxyphenoxy]butanoic acid IUPAC Name: 4-[4-(2,4-dinitroanilino)-2,6-dimethoxyphenoxy]butanoic acid Traditional Name: 4-[4-(2,4-dinitroanilino)-2,6-dimethoxy-phenoxy]butyric acid Formula: C18H19N3O9 MolecularWeight: 421.35816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O9/c1-28-15-8-11(9-16(29-2)18(15)30-7-3-4-17(22)23)19-13-6-5-12(20(24)25)10-14(13)21(26)27/h5-6,8-10,19H,3-4,7H2,1-2H3,(H,22,23)