2-[3-(azepan-1-yl)-3-oxidanylidene-propyl]-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-[3-(azepan-1-yl)-3-oxidanylidene-propyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[3-(azepan-1-yl)-3-oxo-propyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[3-(1-azepanyl)-3-oxopropyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[3-(azepan-1-yl)-3-oxopropyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[3-(azepan-1-yl)-3-keto-propyl]-4-nitro-isoindoline-1,3-quinone Formula: C17H19N3O5 MolecularWeight: 345.34986

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=O)CCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O5/c21-14(18-9-3-1-2-4-10-18)8-11-19-16(22)12-6-5-7-13(20(24)25)15(12)17(19)23/h5-7H,1-4,8-11H2