6-[3-(aminomethyl)pyrrol-1-yl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione

Systemtic Name: 6-[3-(aminomethyl)pyrrol-1-yl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione Openeye Name: 6-[3-(aminomethyl)pyrrol-1-yl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione CAS Name: 6-[3-(aminomethyl)-1-pyrrolyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione IUPAC Name: 6-[3-(aminomethyl)pyrrol-1-yl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione Traditional Name: 6-[3-(aminomethyl)pyrrol-1-yl]-7-nitro-1,4-dihydroquinoxaline-2,3-quinone Formula: C13H11N5O4 MolecularWeight: 301.25754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=C1CN)C2=C(C=C3C(=C2)NC(=O)C(=O)N3)[N+](=O)[O-]

Isomeric SMILES

C1=CN(C=C1CN)C2=C(C=C3C(=C2)NC(=O)C(=O)N3)[N+](=O)[O-]

InChI

InChI=1S/C13H11N5O4/c14-5-7-1-2-17(6-7)10-3-8-9(4-11(10)18(21)22)16-13(20)12(19)15-8/h1-4,6H,5,14H2,(H,15,19)(H,16,20)