1-nitro-4-[4-(4-nitrophenyl)hexa-1,5-diyn-3-yl]benzene

Systemtic Name: 1-nitro-4-[4-(4-nitrophenyl)hexa-1,5-diyn-3-yl]benzene Openeye Name: 1-[1-ethynyl-2-(4-nitrophenyl)but-3-ynyl]-4-nitro-benzene CAS Name: 1-nitro-4-[4-(4-nitrophenyl)hexa-1,5-diyn-3-yl]benzene IUPAC Name: 1-nitro-4-[4-(4-nitrophenyl)hexa-1,5-diyn-3-yl]benzene Traditional Name: 1-[1-ethynyl-2-(4-nitrophenyl)but-3-ynyl]-4-nitro-benzene Formula: C18H12N2O4 MolecularWeight: 320.29888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12N2O4/c1-3-17(13-5-9-15(10-6-13)19(21)22)18(4-2)14-7-11-16(12-8-14)20(23)24/h1-2,5-12,17-18H