1-[3,4-bis(azanyl)-5-nitro-2-oxidanyl-phenyl]propan-1-one

Systemtic Name: 1-[3,4-bis(azanyl)-5-nitro-2-oxidanyl-phenyl]propan-1-one Openeye Name: 1-(3,4-diamino-2-hydroxy-5-nitro-phenyl)propan-1-one CAS Name: 1-(3,4-diamino-2-hydroxy-5-nitrophenyl)-1-propanone IUPAC Name: 1-(3,4-diamino-2-hydroxy-5-nitrophenyl)propan-1-one Traditional Name: 1-(3,4-diamino-2-hydroxy-5-nitro-phenyl)propan-1-one Formula: C9H11N3O4 MolecularWeight: 225.20134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC(=C(C(=C1O)N)N)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)C1=CC(=C(C(=C1O)N)N)[N+](=O)[O-]

InChI

InChI=1S/C9H11N3O4/c1-2-6(13)4-3-5(12(15)16)7(10)8(11)9(4)14/h3,14H,2,10-11H2,1H3