(E)-2-(4-methylpiperazin-1-yl)carbonyl-3-[3-nitro-4,5-bis(oxidanyl)phenyl]prop-2-enenitrile

Systemtic Name: (E)-2-(4-methylpiperazin-1-yl)carbonyl-3-[3-nitro-4,5-bis(oxidanyl)phenyl]prop-2-enenitrile Openeye Name: (E)-3-(3,4-dihydroxy-5-nitro-phenyl)-2-(4-methylpiperazine-1-carbonyl)prop-2-enenitrile CAS Name: (E)-3-(3,4-dihydroxy-5-nitrophenyl)-2-[(4-methyl-1-piperazinyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(3,4-dihydroxy-5-nitrophenyl)-2-(4-methylpiperazine-1-carbonyl)prop-2-enenitrile Traditional Name: (E)-3-(3,4-dihydroxy-5-nitro-phenyl)-2-(4-methylpiperazine-1-carbonyl)acrylonitrile Formula: C15H16N4O5 MolecularWeight: 332.31134

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C(=CC2=CC(=C(C(=C2)O)O)[N+](=O)[O-])C#N

Isomeric SMILES

CN1CCN(CC1)C(=O)/C(=C/C2=CC(=C(C(=C2)O)O)[N+](=O)[O-])/C#N

InChI

InChI=1S/C15H16N4O5/c1-17-2-4-18(5-3-17)15(22)11(9-16)6-10-7-12(19(23)24)14(21)13(20)8-10/h6-8,20-21H,2-5H2,1H3/b11-6+