2-[2-[bis(1-hydroxyethyl)amino]-2-oxidanylidene-ethyl]-5-nitro-1,2,4-triazole-3-carboxylic acid

Systemtic Name: 2-[2-[bis(1-hydroxyethyl)amino]-2-oxidanylidene-ethyl]-5-nitro-1,2,4-triazole-3-carboxylic acid Openeye Name: 2-[2-[bis(1-hydroxyethyl)amino]-2-oxo-ethyl]-5-nitro-1,2,4-triazole-3-carboxylic acid CAS Name: 2-[2-[bis(1-hydroxyethyl)amino]-2-oxoethyl]-5-nitro-1,2,4-triazole-3-carboxylic acid IUPAC Name: 2-[2-[bis(1-hydroxyethyl)amino]-2-oxoethyl]-5-nitro-1,2,4-triazole-3-carboxylic acid Traditional Name: 2-[2-[bis(1-hydroxyethyl)amino]-2-keto-ethyl]-5-nitro-1,2,4-triazole-3-carboxylic acid Formula: C9H13N5O7 MolecularWeight: 303.22882

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Descriptors Computed from Structure

Canonical SMILES:

CC(N(C(C)O)C(=O)CN1C(=NC(=N1)[N+](=O)[O-])C(=O)O)O

Isomeric SMILES

CC(N(C(C)O)C(=O)CN1C(=NC(=N1)[N+](=O)[O-])C(=O)O)O

InChI

InChI=1S/C9H13N5O7/c1-4(15)13(5(2)16)6(17)3-12-7(8(18)19)10-9(11-12)14(20)21/h4-5,15-16H,3H2,1-2H3,(H,18,19)