N-[(2S)-1-[[2,6-di(propan-2-yl)phenyl]amino]-1-oxidanylidene-propan-2-yl]-3-nitro-benzamide

Systemtic Name: N-[(2S)-1-[[2,6-di(propan-2-yl)phenyl]amino]-1-oxidanylidene-propan-2-yl]-3-nitro-benzamide Openeye Name: N-[(1S)-2-(2,6-diisopropylanilino)-1-methyl-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-[(2S)-1-[2,6-di(propan-2-yl)anilino]-1-oxopropan-2-yl]-3-nitrobenzamide IUPAC Name: N-[(2S)-1-[2,6-di(propan-2-yl)anilino]-1-oxopropan-2-yl]-3-nitrobenzamide Traditional Name: N-[(1S)-2-(2,6-diisopropylanilino)-2-keto-1-methyl-ethyl]-3-nitro-benzamide Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)C(C)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=CC=C1C(C)C)C(C)C)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O4/c1-13(2)18-10-7-11-19(14(3)4)20(18)24-21(26)15(5)23-22(27)16-8-6-9-17(12-16)25(28)29/h6-15H,1-5H3,(H,23,27)(H,24,26)/t15-/m0/s1