ethyl 4-azanyl-2-(2-azanyl-3-cyclohexyl-1-oxidanyl-propyl)-2-(2,4-dinitrophenyl)-5-(1H-imidazol-5-yl)-3-oxidanylidene-pentanoate

Systemtic Name: ethyl 4-azanyl-2-(2-azanyl-3-cyclohexyl-1-oxidanyl-propyl)-2-(2,4-dinitrophenyl)-5-(1H-imidazol-5-yl)-3-oxidanylidene-pentanoate Openeye Name: ethyl 4-amino-2-(2-amino-3-cyclohexyl-1-hydroxy-propyl)-2-(2,4-dinitrophenyl)-5-(1H-imidazol-5-yl)-3-oxo-pentanoate CAS Name: 4-amino-2-(2-amino-3-cyclohexyl-1-hydroxypropyl)-2-(2,4-dinitrophenyl)-5-(1H-imidazol-5-yl)-3-oxopentanoic acid ethyl ester IUPAC Name: ethyl 4-amino-2-(2-amino-3-cyclohexyl-1-hydroxypropyl)-2-(2,4-dinitrophenyl)-5-(1H-imidazol-5-yl)-3-oxopentanoate Traditional Name: 4-amino-2-(2-amino-3-cyclohexyl-1-hydroxy-propyl)-2-(2,4-dinitrophenyl)-5-(1H-imidazol-5-yl)-3-keto-valeric acid ethyl ester Formula: C25H34N6O8 MolecularWeight: 546.57286

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])(C(C(CC2CCCCC2)N)O)C(=O)C(CC3=CN=CN3)N

Isomeric SMILES

CCOC(=O)C(C1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])(C(C(CC2CCCCC2)N)O)C(=O)C(CC3=CN=CN3)N

InChI

InChI=1S/C25H34N6O8/c1-2-39-24(34)25(23(33)20(27)11-16-13-28-14-29-16,22(32)19(26)10-15-6-4-3-5-7-15)18-9-8-17(30(35)36)12-21(18)31(37)38/h8-9,12-15,19-20,22,32H,2-7,10-11,26-27H2,1H3,(H,28,29)