2-[(4-ethylpiperazin-1-yl)methyl]-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-[(4-ethylpiperazin-1-yl)methyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[(4-ethylpiperazin-1-yl)methyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[(4-ethyl-1-piperazinyl)methyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[(4-ethylpiperazin-1-yl)methyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[(4-ethylpiperazino)methyl]-4-nitro-isoindoline-1,3-quinone Formula: C15H18N4O4 MolecularWeight: 318.32782

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCN1CCN(CC1)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H18N4O4/c1-2-16-6-8-17(9-7-16)10-18-14(20)11-4-3-5-12(19(22)23)13(11)15(18)21/h3-5H,2,6-10H2,1H3