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

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

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

Isomeric SMILES

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

InChI

InChI=1S/C9H13N5O7/c15-3-1-12(2-4-16)6(17)5-13-7(8(18)19)10-9(11-13)14(20)21/h15-16H,1-5H2,(H,18,19)