methyl 4-[2-methoxy-5-nitro-4-(phenoxymethyl)phenoxy]butanoate

Systemtic Name: methyl 4-[2-methoxy-5-nitro-4-(phenoxymethyl)phenoxy]butanoate Openeye Name: methyl 4-[2-methoxy-5-nitro-4-(phenoxymethyl)phenoxy]butanoate CAS Name: 4-[2-methoxy-5-nitro-4-(phenoxymethyl)phenoxy]butanoic acid methyl ester IUPAC Name: methyl 4-[2-methoxy-5-nitro-4-(phenoxymethyl)phenoxy]butanoate Traditional Name: 4-[2-methoxy-5-nitro-4-(phenoxymethyl)phenoxy]butyric acid methyl ester Formula: C19H21NO7 MolecularWeight: 375.37254

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)COC2=CC=CC=C2)[N+](=O)[O-])OCCCC(=O)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)COC2=CC=CC=C2)[N+](=O)[O-])OCCCC(=O)OC

InChI

InChI=1S/C19H21NO7/c1-24-17-11-14(13-27-15-7-4-3-5-8-15)16(20(22)23)12-18(17)26-10-6-9-19(21)25-2/h3-5,7-8,11-12H,6,9-10,13H2,1-2H3