3-nitrooxypropyl 1-[2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]pyrrolidine-2-carboxylate; (E)-4-oxidanylidenepent-2-enoic acid

Systemtic Name: 3-nitrooxypropyl 1-[2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]pyrrolidine-2-carboxylate; (E)-4-oxidanylidenepent-2-enoic acid Openeye Name: 3-nitrooxypropyl 1-[2-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]propanoyl]pyrrolidine-2-carboxylate; (E)-4-oxopent-2-enoic acid CAS Name: 1-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-1-oxopropyl]-2-pyrrolidinecarboxylic acid 3-nitrooxypropyl ester; (E)-4-oxo-2-pentenoic acid IUPAC Name: 3-nitrooxypropyl 1-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl]pyrrolidine-2-carboxylate; (E)-4-oxopent-2-enoic acid Traditional Name: 1-[2-[(1-carbethoxy-3-phenyl-propyl)amino]propanoyl]pyrrolidine-2-carboxylic acid 3-nitrooxypropyl ester; (E)-4-ketopent-2-enoic acid Formula: C28H39N3O11 MolecularWeight: 593.62276

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CCCC2C(=O)OCCCO[N+](=O)[O-].CC(=O)C=CC(=O)O

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CCCC2C(=O)OCCCO[N+](=O)[O-].CC(=O)/C=C/C(=O)O

InChI

InChI=1S/C23H33N3O8.C5H6O3/c1-3-32-22(28)19(13-12-18-9-5-4-6-10-18)24-17(2)21(27)25-14-7-11-20(25)23(29)33-15-8-16-34-26(30)31;1-4(6)2-3-5(7)8/h4-6,9-10,17,19-20,24H,3,7-8,11-16H2,1-2H3;2-3H,1H3,(H,7,8)/b;3-2+