4-[bis(azanyl)methylidene]-2-nitro-cyclohexa-2,5-dien-1-one; methanesulfonic acid

Systemtic Name: 4-[bis(azanyl)methylidene]-2-nitro-cyclohexa-2,5-dien-1-one; methanesulfonic acid Openeye Name: 4-(diaminomethylene)-2-nitro-cyclohexa-2,5-dien-1-one; methanesulfonic acid CAS Name: 4-(diaminomethylidene)-2-nitro-1-cyclohexa-2,5-dienone; methanesulfonic acid IUPAC Name: 4-(diaminomethylidene)-2-nitrocyclohexa-2,5-dien-1-one; methanesulfonic acid Traditional Name: 4-(diaminomethylene)-2-nitro-cyclohexa-2,5-dien-1-one; mesylic acid Formula: C8H11N3O6S MolecularWeight: 277.25444

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.C1=CC(=O)C(=CC1=C(N)N)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)O.C1=CC(=O)C(=CC1=C(N)N)[N+](=O)[O-]

InChI

InChI=1S/C7H7N3O3.CH4O3S/c8-7(9)4-1-2-6(11)5(3-4)10(12)13;1-5(2,3)4/h1-3H,8-9H2;1H3,(H,2,3,4)