(4-acetamidophenyl) 3-(2H-imidazol-4-yl)-2-[3-(4-nitrooxybutanoylamino)propanoylamino]propanoate

Systemtic Name: (4-acetamidophenyl) 3-(2H-imidazol-4-yl)-2-[3-(4-nitrooxybutanoylamino)propanoylamino]propanoate Openeye Name: (4-acetamidophenyl) 3-(2H-imidazol-4-yl)-2-[3-(4-nitrooxybutanoylamino)propanoylamino]propanoate CAS Name: 3-(2H-imidazol-4-yl)-2-[[3-[(4-nitrooxy-1-oxobutyl)amino]-1-oxopropyl]amino]propanoic acid (4-acetamidophenyl) ester IUPAC Name: (4-acetamidophenyl) 3-(2H-imidazol-4-yl)-2-[3-(4-nitrooxybutanoylamino)propanoylamino]propanoate Traditional Name: 3-(2H-imidazol-4-yl)-2-[3-(4-nitrooxybutanoylamino)propanoylamino]propionic acid (4-acetamidophenyl) ester Formula: C21H26N6O8 MolecularWeight: 490.46654

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)OC(=O)C(CC2=NCN=C2)NC(=O)CCNC(=O)CCCO[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)OC(=O)C(CC2=NCN=C2)NC(=O)CCNC(=O)CCCO[N+](=O)[O-]

InChI

InChI=1S/C21H26N6O8/c1-14(28)25-15-4-6-17(7-5-15)35-21(31)18(11-16-12-22-13-24-16)26-20(30)8-9-23-19(29)3-2-10-34-27(32)33/h4-7,12,18H,2-3,8-11,13H2,1H3,(H,23,29)(H,25,28)(H,26,30)