methyl 3-[4-[3-[4-nitrooxybutanoyl(propan-2-yl)amino]-2-oxidanyl-propoxy]phenyl]propanoate

Systemtic Name: methyl 3-[4-[3-[4-nitrooxybutanoyl(propan-2-yl)amino]-2-oxidanyl-propoxy]phenyl]propanoate Openeye Name: methyl 3-[4-[2-hydroxy-3-[isopropyl(4-nitrooxybutanoyl)amino]propoxy]phenyl]propanoate CAS Name: 3-[4-[2-hydroxy-3-[(4-nitrooxy-1-oxobutyl)-propan-2-ylamino]propoxy]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[2-hydroxy-3-[4-nitrooxybutanoyl(propan-2-yl)amino]propoxy]phenyl]propanoate Traditional Name: 3-[4-[2-hydroxy-3-[isopropyl(4-nitrooxybutanoyl)amino]propoxy]phenyl]propionic acid methyl ester Formula: C20H30N2O8 MolecularWeight: 426.4608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC(COC1=CC=C(C=C1)CCC(=O)OC)O)C(=O)CCCO[N+](=O)[O-]

Isomeric SMILES

CC(C)N(CC(COC1=CC=C(C=C1)CCC(=O)OC)O)C(=O)CCCO[N+](=O)[O-]

InChI

InChI=1S/C20H30N2O8/c1-15(2)21(19(24)5-4-12-30-22(26)27)13-17(23)14-29-18-9-6-16(7-10-18)8-11-20(25)28-3/h6-7,9-10,15,17,23H,4-5,8,11-14H2,1-3H3