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

Systemtic Name: 5-methyl-2-[3-[4-(6-nitropyridin-3-yl)piperazin-1-yl]-3-oxidanylidene-propyl]isoindole-1,3-dione Openeye Name: 5-methyl-2-[3-[4-(6-nitro-3-pyridyl)piperazin-1-yl]-3-oxo-propyl]isoindoline-1,3-dione CAS Name: 5-methyl-2-[3-[4-(6-nitro-3-pyridinyl)-1-piperazinyl]-3-oxopropyl]isoindole-1,3-dione IUPAC Name: 5-methyl-2-[3-[4-(6-nitropyridin-3-yl)piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione Traditional Name: 2-[3-keto-3-[4-(6-nitro-3-pyridyl)piperazino]propyl]-5-methyl-isoindoline-1,3-quinone Formula: C21H21N5O5 MolecularWeight: 423.42194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O5/c1-14-2-4-16-17(12-14)21(29)25(20(16)28)7-6-19(27)24-10-8-23(9-11-24)15-3-5-18(22-13-15)26(30)31/h2-5,12-13H,6-11H2,1H3