1-[4-(3-imidazol-1-ylpropylamino)-3-nitro-phenyl]piperidine-2,6-dione

Systemtic Name: 1-[4-(3-imidazol-1-ylpropylamino)-3-nitro-phenyl]piperidine-2,6-dione Openeye Name: 1-[4-(3-imidazol-1-ylpropylamino)-3-nitro-phenyl]piperidine-2,6-dione CAS Name: 1-[4-[3-(1-imidazolyl)propylamino]-3-nitrophenyl]piperidine-2,6-dione IUPAC Name: 1-[4-(3-imidazol-1-ylpropylamino)-3-nitrophenyl]piperidine-2,6-dione Traditional Name: 1-[4-(3-imidazol-1-ylpropylamino)-3-nitro-phenyl]piperidine-2,6-quinone Formula: C17H19N5O4 MolecularWeight: 357.36386

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C(=O)C1)C2=CC(=C(C=C2)NCCCN3C=CN=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC(=O)N(C(=O)C1)C2=CC(=C(C=C2)NCCCN3C=CN=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H19N5O4/c23-16-3-1-4-17(24)21(16)13-5-6-14(15(11-13)22(25)26)19-7-2-9-20-10-8-18-12-20/h5-6,8,10-12,19H,1-4,7,9H2