7-nitro-5-[(3-oxidanylpropylamino)methyl]-1,4-dihydroquinoxaline-2,3-dione hydrochloride

Systemtic Name: 7-nitro-5-[(3-oxidanylpropylamino)methyl]-1,4-dihydroquinoxaline-2,3-dione hydrochloride Openeye Name: 5-[(3-hydroxypropylamino)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione hydrochloride CAS Name: 5-[(3-hydroxypropylamino)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione hydrochloride IUPAC Name: 5-[(3-hydroxypropylamino)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione hydrochloride Traditional Name: 5-[(3-hydroxypropylamino)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-quinone hydrochloride Formula: C12H15ClN4O5 MolecularWeight: 330.7243

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C2=C1NC(=O)C(=O)N2)CNCCCO)[N+](=O)[O-].Cl

Isomeric SMILES

C1=C(C=C(C2=C1NC(=O)C(=O)N2)CNCCCO)[N+](=O)[O-].Cl

InChI

InChI=1S/C12H14N4O5.ClH/c17-3-1-2-13-6-7-4-8(16(20)21)5-9-10(7)15-12(19)11(18)14-9;/h4-5,13,17H,1-3,6H2,(H,14,18)(H,15,19);1H