7-nitro-5-[(2-oxidanylidene-3H-azepin-1-yl)methyl]-1,4-dihydroquinoxaline-2,3-dione

Systemtic Name: 7-nitro-5-[(2-oxidanylidene-3H-azepin-1-yl)methyl]-1,4-dihydroquinoxaline-2,3-dione Openeye Name: 7-nitro-5-[(2-oxo-3H-azepin-1-yl)methyl]-1,4-dihydroquinoxaline-2,3-dione CAS Name: 7-nitro-5-[(2-oxo-3H-azepin-1-yl)methyl]-1,4-dihydroquinoxaline-2,3-dione IUPAC Name: 7-nitro-5-[(2-oxo-3H-azepin-1-yl)methyl]-1,4-dihydroquinoxaline-2,3-dione Traditional Name: 5-[(2-keto-3H-azepin-1-yl)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-quinone Formula: C15H12N4O5 MolecularWeight: 328.27958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=CN(C1=O)CC2=CC(=CC3=C2NC(=O)C(=O)N3)[N+](=O)[O-]

Isomeric SMILES

C1C=CC=CN(C1=O)CC2=CC(=CC3=C2NC(=O)C(=O)N3)[N+](=O)[O-]

InChI

InChI=1S/C15H12N4O5/c20-12-4-2-1-3-5-18(12)8-9-6-10(19(23)24)7-11-13(9)17-15(22)14(21)16-11/h1-3,5-7H,4,8H2,(H,16,21)(H,17,22)