8-(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-7,9-dihydropurin-6-olate

Systemtic Name: 8-(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-7,9-dihydropurin-6-olate Openeye Name: 8-(3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)-7,9-dihydropurin-6-olate CAS Name: 8-(3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)-7,9-dihydropurin-6-olate IUPAC Name: 8-(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)-7,9-dihydropurin-6-olate Traditional Name: 8-(6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)-7,9-dihydropurin-6-olate Formula: C11H6N5O4- MolecularWeight: 272.19644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C(=C2NC3=C(N2)N=CN=C3[O-])C=C1[N+](=O)[O-]

Isomeric SMILES

C1=CC(=O)C(=C2NC3=C(N2)N=CN=C3[O-])C=C1[N+](=O)[O-]

InChI

InChI=1S/C11H7N5O4/c17-7-2-1-5(16(19)20)3-6(7)9-14-8-10(15-9)12-4-13-11(8)18/h1-4,14H,(H2,12,13,15,18)/p-1