3-(7-nitro-3-oxidanylidene-1H-isoindol-2-yl)-3-propyl-piperidine-2,6-dione

Systemtic Name: 3-(7-nitro-3-oxidanylidene-1H-isoindol-2-yl)-3-propyl-piperidine-2,6-dione Openeye Name: 3-(4-nitro-1-oxo-isoindolin-2-yl)-3-propyl-piperidine-2,6-dione CAS Name: 3-(7-nitro-3-oxo-1H-isoindol-2-yl)-3-propylpiperidine-2,6-dione IUPAC Name: 3-(7-nitro-3-oxo-1H-isoindol-2-yl)-3-propylpiperidine-2,6-dione Traditional Name: 3-(1-keto-4-nitro-isoindolin-2-yl)-3-propyl-piperidine-2,6-quinone Formula: C16H17N3O5 MolecularWeight: 331.32328

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(CCC(=O)NC1=O)N2CC3=C(C2=O)C=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCCC1(CCC(=O)NC1=O)N2CC3=C(C2=O)C=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O5/c1-2-7-16(8-6-13(20)17-15(16)22)18-9-11-10(14(18)21)4-3-5-12(11)19(23)24/h3-5H,2,6-9H2,1H3,(H,17,20,22)