5-[(3-azanylpyridin-1-ium-1-yl)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione

Systemtic Name: 5-[(3-azanylpyridin-1-ium-1-yl)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione Openeye Name: 5-[(3-aminopyridin-1-ium-1-yl)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione CAS Name: 5-[(3-amino-1-pyridin-1-iumyl)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione IUPAC Name: 5-[(3-aminopyridin-1-ium-1-yl)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione Traditional Name: 5-[(3-aminopyridin-1-ium-1-yl)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-quinone Formula: C14H12N5O4+ MolecularWeight: 314.27618

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)CC2=CC(=CC3=C2NC(=O)C(=O)N3)[N+](=O)[O-])N

Isomeric SMILES

C1=CC(=C[N+](=C1)CC2=CC(=CC3=C2NC(=O)C(=O)N3)[N+](=O)[O-])N

InChI

InChI=1S/C14H11N5O4/c15-9-2-1-3-18(7-9)6-8-4-10(19(22)23)5-11-12(8)17-14(21)13(20)16-11/h1-5,7H,6,15H2,(H-,16,17,20,21)/p+1