5-methyl-2-[2-[4-(6-nitropyridin-3-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]isoindole-1,3-dione

Systemtic Name: 5-methyl-2-[2-[4-(6-nitropyridin-3-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]isoindole-1,3-dione Openeye Name: 5-methyl-2-[2-[4-(6-nitro-3-pyridyl)piperazin-1-yl]-2-oxo-ethyl]isoindoline-1,3-dione CAS Name: 5-methyl-2-[2-[4-(6-nitro-3-pyridinyl)-1-piperazinyl]-2-oxoethyl]isoindole-1,3-dione IUPAC Name: 5-methyl-2-[2-[4-(6-nitropyridin-3-yl)piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione Traditional Name: 2-[2-keto-2-[4-(6-nitro-3-pyridyl)piperazino]ethyl]-5-methyl-isoindoline-1,3-quinone Formula: C20H19N5O5 MolecularWeight: 409.39536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)N(C2=O)CC(=O)N3CCN(CC3)C4=CN=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)N(C2=O)CC(=O)N3CCN(CC3)C4=CN=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O5/c1-13-2-4-15-16(10-13)20(28)24(19(15)27)12-18(26)23-8-6-22(7-9-23)14-3-5-17(21-11-14)25(29)30/h2-5,10-11H,6-9,12H2,1H3