1-[4-(4-imidazol-1-yl-3-nitro-phenyl)carbonylpiperazin-1-yl]-2-methyl-propan-1-one

Systemtic Name: 1-[4-(4-imidazol-1-yl-3-nitro-phenyl)carbonylpiperazin-1-yl]-2-methyl-propan-1-one Openeye Name: 1-[4-(4-imidazol-1-yl-3-nitro-benzoyl)piperazin-1-yl]-2-methyl-propan-1-one CAS Name: 1-[4-[[4-(1-imidazolyl)-3-nitrophenyl]-oxomethyl]-1-piperazinyl]-2-methyl-1-propanone IUPAC Name: 1-[4-(4-imidazol-1-yl-3-nitrobenzoyl)piperazin-1-yl]-2-methylpropan-1-one Traditional Name: 1-[4-(4-imidazol-1-yl-3-nitro-benzoyl)piperazino]-2-methyl-propan-1-one Formula: C18H21N5O4 MolecularWeight: 371.39044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)C(=O)C2=CC(=C(C=C2)N3C=CN=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)C(=O)C2=CC(=C(C=C2)N3C=CN=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N5O4/c1-13(2)17(24)20-7-9-21(10-8-20)18(25)14-3-4-15(16(11-14)23(26)27)22-6-5-19-12-22/h3-6,11-13H,7-10H2,1-2H3