[[2-[(3,5-dinitrophenyl)carbonylamino]-3-methyl-butanoyl]amino]-dimethyl-(2-oxidanylpropyl)azanium

Systemtic Name: [[2-[(3,5-dinitrophenyl)carbonylamino]-3-methyl-butanoyl]amino]-dimethyl-(2-oxidanylpropyl)azanium Openeye Name: [[2-[(3,5-dinitrobenzoyl)amino]-3-methyl-butanoyl]amino]-(2-hydroxypropyl)-dimethyl-ammonium CAS Name: [[2-[[(3,5-dinitrophenyl)-oxomethyl]amino]-3-methyl-1-oxobutyl]amino]-(2-hydroxypropyl)-dimethylammonium IUPAC Name: [[2-[(3,5-dinitrobenzoyl)amino]-3-methylbutanoyl]amino]-(2-hydroxypropyl)-dimethylazanium Traditional Name: [[2-[(3,5-dinitrobenzoyl)amino]-3-methyl-butanoyl]amino]-(2-hydroxypropyl)-dimethyl-ammonium Formula: C17H26N5O7+ MolecularWeight: 412.41764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N[N+](C)(C)CC(C)O)NC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)C(C(=O)N[N+](C)(C)CC(C)O)NC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H25N5O7/c1-10(2)15(17(25)19-22(4,5)9-11(3)23)18-16(24)12-6-13(20(26)27)8-14(7-12)21(28)29/h6-8,10-11,15,23H,9H2,1-5H3,(H-,18,19,24,25)/p+1