2-[1-azanyl-3-(dimethylamino)-1-oxidanylidene-pentan-2-yl]-5-nitro-1,2,4-triazole-3-carboxylic acid

Systemtic Name: 2-[1-azanyl-3-(dimethylamino)-1-oxidanylidene-pentan-2-yl]-5-nitro-1,2,4-triazole-3-carboxylic acid Openeye Name: 2-[1-carbamoyl-2-(dimethylamino)butyl]-5-nitro-1,2,4-triazole-3-carboxylic acid CAS Name: 2-[1-amino-3-(dimethylamino)-1-oxopentan-2-yl]-5-nitro-1,2,4-triazole-3-carboxylic acid IUPAC Name: 2-[1-amino-3-(dimethylamino)-1-oxopentan-2-yl]-5-nitro-1,2,4-triazole-3-carboxylic acid Traditional Name: 2-[1-carbamoyl-2-(dimethylamino)butyl]-5-nitro-1,2,4-triazole-3-carboxylic acid Formula: C10H16N6O5 MolecularWeight: 300.27124

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C(=O)N)N1C(=NC(=N1)[N+](=O)[O-])C(=O)O)N(C)C

Isomeric SMILES

CCC(C(C(=O)N)N1C(=NC(=N1)[N+](=O)[O-])C(=O)O)N(C)C

InChI

InChI=1S/C10H16N6O5/c1-4-5(14(2)3)6(7(11)17)15-8(9(18)19)12-10(13-15)16(20)21/h5-6H,4H2,1-3H3,(H2,11,17)(H,18,19)