[4,4-bis(azanyl)-3,3-dinitro-cyclohexa-1,5-dien-1-yl]-phenyl-methanone

Systemtic Name: [4,4-bis(azanyl)-3,3-dinitro-cyclohexa-1,5-dien-1-yl]-phenyl-methanone Openeye Name: (4,4-diamino-3,3-dinitro-cyclohexa-1,5-dien-1-yl)-phenyl-methanone CAS Name: (4,4-diamino-3,3-dinitro-1-cyclohexa-1,5-dienyl)-phenylmethanone IUPAC Name: (4,4-diamino-3,3-dinitrocyclohexa-1,5-dien-1-yl)-phenylmethanone Traditional Name: (4,4-diamino-3,3-dinitro-cyclohexa-1,5-dien-1-yl)-phenyl-methanone Formula: C13H12N4O5 MolecularWeight: 304.25818

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CC(C(C=C2)(N)N)([N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CC(C(C=C2)(N)N)([N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H12N4O5/c14-12(15)7-6-10(8-13(12,16(19)20)17(21)22)11(18)9-4-2-1-3-5-9/h1-8H,14-15H2