2-azanyl-3-methyl-butanoic acid; 1,1-dinitro-3-phenyl-urea

Systemtic Name: 2-azanyl-3-methyl-butanoic acid; 1,1-dinitro-3-phenyl-urea Openeye Name: 2-amino-3-methyl-butanoic acid; 1,1-dinitro-3-phenyl-urea CAS Name: 2-amino-3-methylbutanoic acid; 1,1-dinitro-3-phenylurea IUPAC Name: 2-amino-3-methylbutanoic acid; 1,1-dinitro-3-phenylurea Traditional Name: 2-amino-3-methyl-butyric acid; 1,1-dinitro-3-phenyl-urea Formula: C12H17N5O7 MolecularWeight: 343.29268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H6N4O5.C5H11NO2/c12-7(9(10(13)14)11(15)16)8-6-4-2-1-3-5-6;1-3(2)4(6)5(7)8/h1-5H,(H,8,12);3-4H,6H2,1-2H3,(H,7,8)