2-(4-methoxyphenyl)-6-nitro-3-(2-oxidanylidene-2-piperidin-1-yl-ethyl)-3H-isoindol-1-one

Systemtic Name: 2-(4-methoxyphenyl)-6-nitro-3-(2-oxidanylidene-2-piperidin-1-yl-ethyl)-3H-isoindol-1-one Openeye Name: 2-(4-methoxyphenyl)-6-nitro-3-[2-oxo-2-(1-piperidyl)ethyl]isoindolin-1-one CAS Name: 2-(4-methoxyphenyl)-6-nitro-3-[2-oxo-2-(1-piperidinyl)ethyl]-3H-isoindol-1-one IUPAC Name: 2-(4-methoxyphenyl)-6-nitro-3-(2-oxo-2-piperidin-1-ylethyl)-3H-isoindol-1-one Traditional Name: 3-(2-keto-2-piperidino-ethyl)-2-(4-methoxyphenyl)-6-nitro-isoindolin-1-one Formula: C22H23N3O5 MolecularWeight: 409.43512

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])CC(=O)N4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)N2C(C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])CC(=O)N4CCCCC4

InChI

InChI=1S/C22H23N3O5/c1-30-17-8-5-15(6-9-17)24-20(14-21(26)23-11-3-2-4-12-23)18-10-7-16(25(28)29)13-19(18)22(24)27/h5-10,13,20H,2-4,11-12,14H2,1H3