1-nitro-3-[(5-nitrocyclohexa-1,5-dien-1-yl)methyl]cyclohexa-1,3-diene

Systemtic Name: 1-nitro-3-[(5-nitrocyclohexa-1,5-dien-1-yl)methyl]cyclohexa-1,3-diene Openeye Name: 1-nitro-3-[(5-nitrocyclohexa-1,5-dien-1-yl)methyl]cyclohexa-1,3-diene CAS Name: 1-nitro-3-[(5-nitro-1-cyclohexa-1,5-dienyl)methyl]cyclohexa-1,3-diene IUPAC Name: 1-nitro-3-[(5-nitrocyclohexa-1,5-dien-1-yl)methyl]cyclohexa-1,3-diene Traditional Name: 1-nitro-3-[(5-nitrocyclohexa-1,5-dien-1-yl)methyl]cyclohexa-1,3-diene Formula: C13H14N2O4 MolecularWeight: 262.26126

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CC(=C1)CC2=CCCC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CC(=CC(=C1)CC2=CCCC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H14N2O4/c16-14(17)12-5-1-3-10(8-12)7-11-4-2-6-13(9-11)15(18)19/h3-4,8-9H,1-2,5-7H2