ethyl 3-[[2-methyl-5-[(2-nitro-3-oxidanylidene-butanoyl)amino]pentyl]amino]-2-nitro-3-oxidanylidene-propanoate

Systemtic Name: ethyl 3-[[2-methyl-5-[(2-nitro-3-oxidanylidene-butanoyl)amino]pentyl]amino]-2-nitro-3-oxidanylidene-propanoate Openeye Name: ethyl 3-[[2-methyl-5-[(2-nitro-3-oxo-butanoyl)amino]pentyl]amino]-2-nitro-3-oxo-propanoate CAS Name: 3-[[2-methyl-5-[(2-nitro-1,3-dioxobutyl)amino]pentyl]amino]-2-nitro-3-oxopropanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-methyl-5-[(2-nitro-3-oxobutanoyl)amino]pentyl]amino]-2-nitro-3-oxopropanoate Traditional Name: 3-keto-3-[[5-[(3-keto-2-nitro-butanoyl)amino]-2-methyl-pentyl]amino]-2-nitro-propionic acid ethyl ester Formula: C15H24N4O9 MolecularWeight: 404.37246

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)NCC(C)CCCNC(=O)C(C(=O)C)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C(C(=O)NCC(C)CCCNC(=O)C(C(=O)C)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H24N4O9/c1-4-28-15(23)12(19(26)27)14(22)17-8-9(2)6-5-7-16-13(21)11(10(3)20)18(24)25/h9,11-12H,4-8H2,1-3H3,(H,16,21)(H,17,22)