(E)-N-methyl-3-[3-nitro-4,5-bis(oxidanyl)phenyl]-2-piperazin-1-ylcarbonyl-prop-2-enenitrilium

Systemtic Name: (E)-N-methyl-3-[3-nitro-4,5-bis(oxidanyl)phenyl]-2-piperazin-1-ylcarbonyl-prop-2-enenitrilium Openeye Name: (E)-3-(3,4-dihydroxy-5-nitro-phenyl)-N-methyl-2-(piperazine-1-carbonyl)prop-2-enenitrilium CAS Name: (E)-3-(3,4-dihydroxy-5-nitrophenyl)-N-methyl-2-[oxo(1-piperazinyl)methyl]-2-propenenitrilium IUPAC Name: (E)-3-(3,4-dihydroxy-5-nitrophenyl)-N-methyl-2-(piperazine-1-carbonyl)prop-2-enenitrilium Traditional Name: (E)-3-(3,4-dihydroxy-5-nitro-phenyl)-N-methyl-2-(piperazine-1-carbonyl)acrylonitrilium Formula: C15H17N4O5+ MolecularWeight: 333.31928

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]#CC(=CC1=CC(=C(C(=C1)O)O)[N+](=O)[O-])C(=O)N2CCNCC2

Isomeric SMILES

C[N+]#C/C(=C\C1=CC(=C(C(=C1)O)O)[N+](=O)[O-])/C(=O)N2CCNCC2

InChI

InChI=1S/C15H16N4O5/c1-16-9-11(15(22)18-4-2-17-3-5-18)6-10-7-12(19(23)24)14(21)13(20)8-10/h6-8,17,20H,2-5H2,1H3/p+1