4-(4-aminophenyl)-3,3-dinitro-cyclohexa-1,5-dien-1-amine

Systemtic Name: 4-(4-aminophenyl)-3,3-dinitro-cyclohexa-1,5-dien-1-amine Openeye Name: 4-(4-aminophenyl)-3,3-dinitro-cyclohexa-1,5-dien-1-amine CAS Name: 4-(4-aminophenyl)-3,3-dinitro-1-cyclohexa-1,5-dienamine IUPAC Name: 4-(4-aminophenyl)-3,3-dinitrocyclohexa-1,5-dien-1-amine Traditional Name: [4-(4-amino-6,6-dinitro-cyclohexa-2,4-dien-1-yl)phenyl]amine Formula: C12H12N4O4 MolecularWeight: 276.24808

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(C1C2=CC=C(C=C2)N)([N+](=O)[O-])[N+](=O)[O-])N

Isomeric SMILES

C1=CC(=CC(C1C2=CC=C(C=C2)N)([N+](=O)[O-])[N+](=O)[O-])N

InChI

InChI=1S/C12H12N4O4/c13-9-3-1-8(2-4-9)11-6-5-10(14)7-12(11,15(17)18)16(19)20/h1-7,11H,13-14H2