4-methyl-1-[(E)-3-[3-nitro-4,5-bis(oxidanyl)phenyl]prop-2-enoyl]piperazine-2-carbonitrile

Systemtic Name: 4-methyl-1-[(E)-3-[3-nitro-4,5-bis(oxidanyl)phenyl]prop-2-enoyl]piperazine-2-carbonitrile Openeye Name: 1-[(E)-3-(3,4-dihydroxy-5-nitro-phenyl)prop-2-enoyl]-4-methyl-piperazine-2-carbonitrile CAS Name: 1-[(E)-3-(3,4-dihydroxy-5-nitrophenyl)-1-oxoprop-2-enyl]-4-methyl-2-piperazinecarbonitrile IUPAC Name: 1-[(E)-3-(3,4-dihydroxy-5-nitrophenyl)prop-2-enoyl]-4-methylpiperazine-2-carbonitrile Traditional Name: 1-[(E)-3-(3,4-dihydroxy-5-nitro-phenyl)acryloyl]-4-methyl-piperazine-2-carbonitrile Formula: C15H16N4O5 MolecularWeight: 332.31134

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(C(C1)C#N)C(=O)C=CC2=CC(=C(C(=C2)O)O)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(C(C1)C#N)C(=O)/C=C/C2=CC(=C(C(=C2)O)O)[N+](=O)[O-]

InChI

InChI=1S/C15H16N4O5/c1-17-4-5-18(11(8-16)9-17)14(21)3-2-10-6-12(19(23)24)15(22)13(20)7-10/h2-3,6-7,11,20,22H,4-5,9H2,1H3/b3-2+