2-chloranyl-N-[(2S)-3-methyl-1-[4-(2-nitrophenyl)piperazin-1-yl]-1-oxidanylidene-butan-2-yl]-4-nitro-benzamide

Systemtic Name: 2-chloranyl-N-[(2S)-3-methyl-1-[4-(2-nitrophenyl)piperazin-1-yl]-1-oxidanylidene-butan-2-yl]-4-nitro-benzamide Openeye Name: 2-chloro-N-[(1S)-2-methyl-1-[4-(2-nitrophenyl)piperazine-1-carbonyl]propyl]-4-nitro-benzamide CAS Name: 2-chloro-N-[(2S)-3-methyl-1-[4-(2-nitrophenyl)-1-piperazinyl]-1-oxobutan-2-yl]-4-nitrobenzamide IUPAC Name: 2-chloro-N-[(2S)-3-methyl-1-[4-(2-nitrophenyl)piperazin-1-yl]-1-oxobutan-2-yl]-4-nitrobenzamide Traditional Name: 2-chloro-N-[(1S)-2-methyl-1-[4-(2-nitrophenyl)piperazine-1-carbonyl]propyl]-4-nitro-benzamide Formula: C22H24ClN5O6 MolecularWeight: 489.90886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCN(CC1)C2=CC=CC=C2[N+](=O)[O-])NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CCN(CC1)C2=CC=CC=C2[N+](=O)[O-])NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H24ClN5O6/c1-14(2)20(24-21(29)16-8-7-15(27(31)32)13-17(16)23)22(30)26-11-9-25(10-12-26)18-5-3-4-6-19(18)28(33)34/h3-8,13-14,20H,9-12H2,1-2H3,(H,24,29)/t20-/m0/s1