2-[1-(azepan-1-yl)-3-(4-nitrophenyl)-1-oxidanylidene-propan-2-yl]isoindole-1,3-dione

Systemtic Name: 2-[1-(azepan-1-yl)-3-(4-nitrophenyl)-1-oxidanylidene-propan-2-yl]isoindole-1,3-dione Openeye Name: 2-[2-(azepan-1-yl)-1-[(4-nitrophenyl)methyl]-2-oxo-ethyl]isoindoline-1,3-dione CAS Name: 2-[1-(1-azepanyl)-3-(4-nitrophenyl)-1-oxopropan-2-yl]isoindole-1,3-dione IUPAC Name: 2-[1-(azepan-1-yl)-3-(4-nitrophenyl)-1-oxopropan-2-yl]isoindole-1,3-dione Traditional Name: 2-[2-(azepan-1-yl)-2-keto-1-(4-nitrobenzyl)ethyl]isoindoline-1,3-quinone Formula: C23H23N3O5 MolecularWeight: 421.44582

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C(CC2=CC=C(C=C2)[N+](=O)[O-])N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CCCN(CC1)C(=O)C(CC2=CC=C(C=C2)[N+](=O)[O-])N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C23H23N3O5/c27-21-18-7-3-4-8-19(18)22(28)25(21)20(23(29)24-13-5-1-2-6-14-24)15-16-9-11-17(12-10-16)26(30)31/h3-4,7-12,20H,1-2,5-6,13-15H2