5-[[(3-methoxy-4-oxidanyl-phenyl)methylamino]methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione

Systemtic Name: 5-[[(3-methoxy-4-oxidanyl-phenyl)methylamino]methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione Openeye Name: 5-[[(4-hydroxy-3-methoxy-phenyl)methylamino]methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione CAS Name: 5-[[(4-hydroxy-3-methoxyphenyl)methylamino]methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione IUPAC Name: 5-[[(4-hydroxy-3-methoxyphenyl)methylamino]methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione Traditional Name: 7-nitro-5-[(vanillylamino)methyl]-1,4-dihydroquinoxaline-2,3-quinone Formula: C17H16N4O6 MolecularWeight: 372.33214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNCC2=CC(=CC3=C2NC(=O)C(=O)N3)[N+](=O)[O-])O

Isomeric SMILES

COC1=C(C=CC(=C1)CNCC2=CC(=CC3=C2NC(=O)C(=O)N3)[N+](=O)[O-])O

InChI

InChI=1S/C17H16N4O6/c1-27-14-4-9(2-3-13(14)22)7-18-8-10-5-11(21(25)26)6-12-15(10)20-17(24)16(23)19-12/h2-6,18,22H,7-8H2,1H3,(H,19,23)(H,20,24)