5-methyl-2-nitro-1-aza-4-azoniabicyclo[2.1.1]hexa-2,4-diene-6-carbaldehyde

Systemtic Name: 5-methyl-2-nitro-1-aza-4-azoniabicyclo[2.1.1]hexa-2,4-diene-6-carbaldehyde Openeye Name: 5-methyl-2-nitro-1-aza-4-azoniabicyclo[2.1.1]hexa-2,4-diene-6-carbaldehyde CAS Name: 5-methyl-2-nitro-1-aza-4-azoniabicyclo[2.1.1]hexa-2,4-diene-6-carboxaldehyde IUPAC Name: 5-methyl-2-nitro-1-aza-4-azoniabicyclo[2.1.1]hexa-2,4-diene-6-carbaldehyde Traditional Name: 5-methyl-2-nitro-1-aza-4-azoniabicyclo[2.1.1]hexa-2,4-diene-6-carbaldehyde Formula: C6H6N3O3+ MolecularWeight: 168.13014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+]2C=C(N1C2C=O)[N+](=O)[O-]

Isomeric SMILES

CC1=[N+]2C=C(N1C2C=O)[N+](=O)[O-]

InChI

InChI=1S/C6H6N3O3/c1-4-7-2-5(9(11)12)8(4)6(7)3-10/h2-3,6H,1H3/q+1