5-[[bis(2-hydroxyethyl)amino]methyl]-4,6-dinitro-1,3-dihydrobenzimidazol-2-one

Systemtic Name: 5-[[bis(2-hydroxyethyl)amino]methyl]-4,6-dinitro-1,3-dihydrobenzimidazol-2-one Openeye Name: 5-[[bis(2-hydroxyethyl)amino]methyl]-4,6-dinitro-1,3-dihydrobenzimidazol-2-one CAS Name: 5-[[bis(2-hydroxyethyl)amino]methyl]-4,6-dinitro-1,3-dihydrobenzimidazol-2-one IUPAC Name: 5-[[bis(2-hydroxyethyl)amino]methyl]-4,6-dinitro-1,3-dihydrobenzimidazol-2-one Traditional Name: 5-[[bis(2-hydroxyethyl)amino]methyl]-4,6-dinitro-1,3-dihydrobenzimidazol-2-one Formula: C12H15N5O7 MolecularWeight: 341.2768

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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C(=C(C(=C1[N+](=O)[O-])CN(CCO)CCO)[N+](=O)[O-])NC(=O)N2

Isomeric SMILES

C1=C2C(=C(C(=C1[N+](=O)[O-])CN(CCO)CCO)[N+](=O)[O-])NC(=O)N2

InChI

InChI=1S/C12H15N5O7/c18-3-1-15(2-4-19)6-7-9(16(21)22)5-8-10(11(7)17(23)24)14-12(20)13-8/h5,18-19H,1-4,6H2,(H2,13,14,20)