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

Systemtic Name: methyl 3-[4-[3-[2-(2-nitrooxyethoxy)ethanoyl-propan-2-yl-amino]-2-oxidanyl-propoxy]phenyl]propanoate Openeye Name: methyl 3-[4-[2-hydroxy-3-[isopropyl-[2-(2-nitrooxyethoxy)acetyl]amino]propoxy]phenyl]propanoate CAS Name: 3-[4-[2-hydroxy-3-[[2-(2-nitrooxyethoxy)-1-oxoethyl]-propan-2-ylamino]propoxy]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[2-hydroxy-3-[[2-(2-nitrooxyethoxy)acetyl]-propan-2-ylamino]propoxy]phenyl]propanoate Traditional Name: 3-[4-[2-hydroxy-3-[isopropyl-[2-(2-nitrooxyethoxy)acetyl]amino]propoxy]phenyl]propionic acid methyl ester Formula: C20H30N2O9 MolecularWeight: 442.4602

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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)COCCO[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O9/c1-15(2)21(19(24)14-29-10-11-31-22(26)27)12-17(23)13-30-18-7-4-16(5-8-18)6-9-20(25)28-3/h4-5,7-8,15,17,23H,6,9-14H2,1-3H3