5,6-dimethyl-6-nitro-cyclohexa-2,4-diene-1-carbaldehyde

Systemtic Name: 5,6-dimethyl-6-nitro-cyclohexa-2,4-diene-1-carbaldehyde Openeye Name: 5,6-dimethyl-6-nitro-cyclohexa-2,4-diene-1-carbaldehyde CAS Name: 5,6-dimethyl-6-nitro-1-cyclohexa-2,4-dienecarboxaldehyde IUPAC Name: 5,6-dimethyl-6-nitrocyclohexa-2,4-diene-1-carbaldehyde Traditional Name: 5,6-dimethyl-6-nitro-cyclohexa-2,4-diene-1-carbaldehyde Formula: C9H11NO3 MolecularWeight: 181.18854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H11NO3/c1-7-4-3-5-8(6-11)9(7,2)10(12)13/h3-6,8H,1-2H3