3-azanyl-5-nitro-2-oxidanyl-cyclohepta-2,4,6-trien-1-one

Systemtic Name: 3-azanyl-5-nitro-2-oxidanyl-cyclohepta-2,4,6-trien-1-one Openeye Name: 3-amino-2-hydroxy-5-nitro-cyclohepta-2,4,6-trien-1-one CAS Name: 3-amino-2-hydroxy-5-nitro-1-cyclohepta-2,4,6-trienone IUPAC Name: 3-amino-2-hydroxy-5-nitrocyclohepta-2,4,6-trien-1-one Traditional Name: 3-amino-2-hydroxy-5-nitro-cyclohepta-2,4,6-trien-1-one Formula: C7H6N2O4 MolecularWeight: 182.13354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H6N2O4/c8-5-3-4(9(12)13)1-2-6(10)7(5)11/h1-3H,(H3,8,10,11)