1,4-dinitro-2,5-bis[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene; N-methylmethanamine

Systemtic Name: 1,4-dinitro-2,5-bis[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene; N-methylmethanamine Openeye Name: 1,4-dinitro-2,5-bis[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene; N-methylmethanamine CAS Name: 1,4-dinitro-2,5-bis[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene; N-methylmethanamine IUPAC Name: 1,4-dinitro-2,5-bis[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene; N-methylmethanamine Traditional Name: dimethylamine; 1,4-dinitro-2,5-bis[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene Formula: C28H27N3O4 MolecularWeight: 469.53168

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Descriptors Computed from Structure

Canonical SMILES:

CNC.C1=CC=C(C=C1)C=CC=CC2=CC(=C(C=C2[N+](=O)[O-])C=CC=CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CNC.C1=CC=C(C=C1)/C=C/C=C/C2=CC(=C(C=C2[N+](=O)[O-])/C=C/C=C/C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C26H20N2O4.C2H7N/c29-27(30)25-20-24(18-10-8-16-22-13-5-2-6-14-22)26(28(31)32)19-23(25)17-9-7-15-21-11-3-1-4-12-21;1-3-2/h1-20H;3H,1-2H3/b15-7+,16-8+,17-9+,18-10+;