2-[4-(azepan-1-ylcarbonyl)phenyl]-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-[4-(azepan-1-ylcarbonyl)phenyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[4-(azepane-1-carbonyl)phenyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[4-[1-azepanyl(oxo)methyl]phenyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[4-(azepane-1-carbonyl)phenyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[4-(azepane-1-carbonyl)phenyl]-4-nitro-isoindoline-1,3-quinone Formula: C21H19N3O5 MolecularWeight: 393.39266

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O5/c25-19(22-12-3-1-2-4-13-22)14-8-10-15(11-9-14)23-20(26)16-6-5-7-17(24(28)29)18(16)21(23)27/h5-11H,1-4,12-13H2