methyl 3-[2,3-bis(oxidanyl)propoxy]-4-(3-methoxyphenoxy)-5-nitro-benzoate

Systemtic Name: methyl 3-[2,3-bis(oxidanyl)propoxy]-4-(3-methoxyphenoxy)-5-nitro-benzoate Openeye Name: methyl 3-(2,3-dihydroxypropoxy)-4-(3-methoxyphenoxy)-5-nitro-benzoate CAS Name: 3-(2,3-dihydroxypropoxy)-4-(3-methoxyphenoxy)-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-(2,3-dihydroxypropoxy)-4-(3-methoxyphenoxy)-5-nitrobenzoate Traditional Name: 3-glyceryloxy-4-(3-methoxyphenoxy)-5-nitro-benzoic acid methyl ester Formula: C18H19NO9 MolecularWeight: 393.34476

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)OC2=C(C=C(C=C2OCC(CO)O)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)OC2=C(C=C(C=C2OCC(CO)O)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H19NO9/c1-25-13-4-3-5-14(8-13)28-17-15(19(23)24)6-11(18(22)26-2)7-16(17)27-10-12(21)9-20/h3-8,12,20-21H,9-10H2,1-2H3