1-[4-(3-nitrophenyl)but-1-en-3-yn-2-yl]-4-(3-nitropyridin-2-yl)piperazine

Systemtic Name: 1-[4-(3-nitrophenyl)but-1-en-3-yn-2-yl]-4-(3-nitropyridin-2-yl)piperazine Openeye Name: 1-[1-methylene-3-(3-nitrophenyl)prop-2-ynyl]-4-(3-nitro-2-pyridyl)piperazine CAS Name: 1-[4-(3-nitrophenyl)but-1-en-3-yn-2-yl]-4-(3-nitro-2-pyridinyl)piperazine IUPAC Name: 1-[4-(3-nitrophenyl)but-1-en-3-yn-2-yl]-4-(3-nitropyridin-2-yl)piperazine Traditional Name: 1-[1-methylene-3-(3-nitrophenyl)prop-2-ynyl]-4-(3-nitro-2-pyridyl)piperazine Formula: C19H17N5O4 MolecularWeight: 379.36938

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C#CC1=CC(=CC=C1)[N+](=O)[O-])N2CCN(CC2)C3=C(C=CC=N3)[N+](=O)[O-]

Isomeric SMILES

C=C(C#CC1=CC(=CC=C1)[N+](=O)[O-])N2CCN(CC2)C3=C(C=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C19H17N5O4/c1-15(7-8-16-4-2-5-17(14-16)23(25)26)21-10-12-22(13-11-21)19-18(24(27)28)6-3-9-20-19/h2-6,9,14H,1,10-13H2