6,6-dinitro-4-(phenylmethyl)cyclohexa-2,4-diene-1,1-diamine

Systemtic Name: 6,6-dinitro-4-(phenylmethyl)cyclohexa-2,4-diene-1,1-diamine Openeye Name: 4-benzyl-6,6-dinitro-cyclohexa-2,4-diene-1,1-diamine CAS Name: 6,6-dinitro-4-(phenylmethyl)cyclohexa-2,4-diene-1,1-diamine IUPAC Name: 4-benzyl-6,6-dinitrocyclohexa-2,4-diene-1,1-diamine Traditional Name: (1-amino-4-benzyl-6,6-dinitro-cyclohexa-2,4-dien-1-yl)amine Formula: C13H14N4O4 MolecularWeight: 290.27466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N4O4/c14-12(15)7-6-11(8-10-4-2-1-3-5-10)9-13(12,16(18)19)17(20)21/h1-7,9H,8,14-15H2